SCHEMBL1414593

SCHEMBL1414593

COc1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
TUBB4A P04350 5/20 0.46
TUBB P07437 5/20 0.46
TUBA3C P0DPH7 5/20 0.46
TUBA1B P68363 5/20 0.46
TUBA4A P68366 5/20 0.46
TUBB4B P68371 5/20 0.46
TUBB3 Q13509 5/20 0.46
TUBB2A Q13885 5/20 0.46
TUBB8 Q3ZCM7 5/20 0.46
TUBA3E Q6PEY2 5/20 0.46
TUBA1A Q71U36 5/20 0.46
TUBA1C Q9BQE3 5/20 0.46
TUBB6 Q9BUF5 5/20 0.46
TUBB2B Q9BVA1 5/20 0.46
TUBB1 Q9H4B7 5/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ABCB1 P08183 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL1414594 0.98 PTGS2 (0.47) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16541886 0.83 CA2 (0.53) ABCB1CYP19A1KDM4EALDH1A1LMNA
SCHEMBL12593861 0.82 MAPT (0.35) KDM4EKDM1ALMNAMAPTHPGD
Bromide SCHEMBL16180801 0.81 CA2 (0.52) ABCB1CYP19A1KDM4EKDM1AALDH1A1
SCHEMBL5083307 0.79 TSHR (0.47) ABCB1CYP19A1ALDH1A1
Bromide SCHEMBL16180511 0.77 TSHR (0.46) ABCB1CYP19A1ALDH1A1
SCHEMBL13403262 0.77 KDM1A (0.46) KDM4EKDM1AALDH1A1MAPTHPGD
SCHEMBL13432593 0.77 KDM4E (0.42) HTR2AKDM4EALDH1A1MAPT
SCHEMBL5689879 0.76 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9088704 0.76 GAA (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501783-B Erianin heterocyclic derivative and preparation method and application thereof 上海应用技术大学 2022-11-15 CN claimed
EP-2065358-B1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2015-07-08 EP claimed
CN-101085743-B Fluorine-containing alkoxy combretastatin derivative, preparation method and use thereof DADE PHARMACEUTICAL CO., LTD., ZHEJIANG PROV. (CN) 2012-02-15 CN claimed
CN-101139358-B Ethoxy combretastatin and preparation and use of its prodrug ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD 2011-10-12 CN claimed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP claimed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP claimed
EP-2025661-B1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2011-03-16 EP claimed
US-7838706-B2 Preparation and the use of ethoxy combretastatins and their prodrugs ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2010-11-23 US claimed
US-7786098-B2 Fluoroalkoxycombretastatin derivatives, method for producing the same and use thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD. (CN) 2010-08-31 US claimed
US-20090170956-A1 PREPARATION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2009-07-02 US claimed
EP-2065358-A1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-06-03 EP claimed
EP-2025661-A1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-02-18 EP claimed
US-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-11 US claimed
CN-101139358-A Ethoxy combretastatin and preparation and use of its prodrug ZHEJIANG DADE PHARMACEUTICAL C (CN) 2008-03-12 CN claimed
CN-101085743-A Fluorine-containing alkoxy combretastatin derivative, preparation method and use thereof ZHEJIANG DADE PHARMACEUTICAL C (CN) 2007-12-12 CN claimed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 EP claimed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 US claimed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 US claimed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 WO claimed
CN-113501783-B Erianin heterocyclic derivative and preparation method and application thereof 上海应用技术大学 2022-11-15 CN disclosed
CN-113501783-A Erianin heterocyclic derivative and preparation method and application thereof 上海应用技术大学 2021-10-15 CN disclosed
US-10993437-B2 Anti-microbial polymer incorporating a quaternary ammonium group CHEMGREEN INNOVATION INC. (CA) 2021-05-04 US disclosed
WO-2017049402-A1 MULTI-FUNCTIONAL ANTI-MICROBIAL POLYMERS AND COMPOSITIONS CONTAINING SAME GHANDI KHASHAYAR (CA) 2017-03-30 WO disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
EP-2350030-B9 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-10-26 EP disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
EP-2350030-B1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-04-20 EP disclosed
US-20160100578-A1 Anti-Microbial Polymer Incorporating a Quaternary Ammonium Group CHEMGREEN INNOVATION INC. (CA) 2016-04-14 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
EP-2065358-B1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2015-07-08 EP disclosed
WO-2014201544-A1 ANTIMICROBIAL POLYMER INCORPORATING A QUATERNARY AMMONIUM GROUP CHEMGREEN INNOVATION INC. (CA) 2014-12-24 WO disclosed
US-8883809-B2 Isoxazole/isoxazoline/combretastatin linked dihydroquinazolinone hybrids as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-11 US disclosed
WO-2013084150-A1 NOVEL CRYSTAL FORM OF (2S)-2-AMINO-3-HYDROXY-N-[2-METHOXY-2-[(1Z)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL]PHENYL]PROPANAMIDE AND METHOD OF PREPARATION THEREOF SANOFI (FR) 2013-06-13 WO disclosed
EP-2562154-A1 Method for preparing combretastatin SANOFI (FR) 2013-02-27 EP disclosed
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Redearch (IN) 2012-11-08 US disclosed
EP-2507218-A1 COMBRETASTATIN DERIVATIVE PREPARATION METHOD SANOFI (FR) 2012-10-10 EP disclosed
CN-101139358-B Ethoxy combretastatin and preparation and use of its prodrug ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD 2011-10-12 CN disclosed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP disclosed
EP-2354118-A1 Process for the preparation of combretastatine Aventis Pharma S.A. (FR) 2011-08-10 EP disclosed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP disclosed
WO-2011067538-A1 COMBRETASTATIN DERIVATIVE PREPARATION METHOD SANOFI-AVENTIS (FR) 2011-06-09 WO disclosed
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
EP-2025661-B1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2011-03-16 EP disclosed
US-7838706-B2 Preparation and the use of ethoxy combretastatins and their prodrugs ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2010-11-23 US disclosed
US-7786098-B2 Fluoroalkoxycombretastatin derivatives, method for producing the same and use thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD. (CN) 2010-08-31 US disclosed
US-20090170956-A1 PREPARATION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD (CN) 2009-07-02 US disclosed
EP-2065358-A1 THE PREPARTION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-06-03 EP disclosed
EP-2025661-A1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-02-18 EP disclosed
US-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-11 US disclosed
EP-1976505-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS Abraxis BioScience, Inc. (US) 2008-10-08 EP disclosed
CN-101139358-A Ethoxy combretastatin and preparation and use of its prodrug ZHEJIANG DADE PHARMACEUTICAL C (CN) 2008-03-12 CN disclosed
WO-2007059118-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 EP disclosed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 US disclosed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 US disclosed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 WO disclosed
CN-1035996-C Stilbene derivatives and carcinostatics containing them AJINOMOTO KK (JP) 1997-10-01 CN disclosed
CN-1105967-A Stilbene derivatives and carcinostatics containing them AJINOMOTO KK (JP) 1995-08-02 CN disclosed
WO-1992016486-A1 SUBSTITUTED DIPHENYLETHYLENES AND ANALOGUES OR DERIVATIVES THEREOF ASTON MOLECULES LIMITED (GB) 1992-10-01 WO disclosed
WO-1992016486-A1 SUBSTITUTED DIPHENYLETHYLENES AND ANALOGUES OR DERIVATIVES THEREOF ASTON MOLECULES LIMITED (GB) 1992-10-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160100578-A1 Anti-Microbial Polymer Incorporating a Quaternary Ammonium Group ARG1, PCNA, ARG2 PTGS2 1793/4885TUBB4A 1430/4885TUBB 518/4885
US-10993437-B2 Anti-microbial polymer incorporating a quaternary ammonium group ARG1, PCNA, ARG2 PTGS2 1793/4885TUBB4A 1430/4885TUBB 518/4885
US-20120283439-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NDUFAF1, TOP1, COX4I1 PTGS2 3862/4885TUBB4A 67/4885TUBB 161/4885
US-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof TUBB, TUBB1, TUBB3 PTGS2 4292/4885TUBB4A 7/4885TUBB 1/4885
US-20030220404-A1 Process for the preparation of combretastatins TGFB2, HMGCR, TGFB1 PTGS2 34/4885TUBB4A 1286/4885TUBB 709/4885
US-20090170956-A1 PREPARATION AND THE USE OF ETHOXY COMBRETASTATINS AND THEIR PRODRUGS PHOSPHO1, TUBB3, TYMP PTGS2 2545/4885TUBB4A 10/4885TUBB 4/4885
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN PCSK9, PCSK7, HMGCR PTGS2 2842/4885TUBB4A 1410/4885TUBB 1639/4885
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS MCL1, HCCS, CASP3 PTGS2 1752/4885TUBB4A 344/4885TUBB 1132/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.