SCHEMBL678598

SCHEMBL678598

COc1ccc(/C=C/C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CYP3A4 P08684 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
RELA Q04206 2/20 0.57
TRPA1 O75762 1/20 0.57
CYP1A2 P05177 3/20 0.57
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 3/20 0.57
ESR1 P03372 2/20 0.55
PTGS2 P35354 2/20 0.55
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
AHR P35869 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55

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
SCHEMBL12028758 1.00 KDM4E (0.59) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL15929665 0.86 KDM4E (0.53) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL11608130 0.83 KDM4E (0.55) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL11608132 0.83 KDM4E (0.55) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL7740467 0.82 HIF1A (0.54) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL4881152 0.81 RELA (0.81) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL631998 0.81 RELA (0.81) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL13790336 0.81 RELA (0.81) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL699458 0.81 RELA (0.81) KDM4ECYP3A4LMNAALDH1A1TP53
SCHEMBL699457 0.81 RELA (0.81) KDM4ECYP3A4LMNAALDH1A1TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-12-08 US disclosed
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 US disclosed
US-9198420-B2 Rodenticidal norbormide analogues LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2015-12-01 US disclosed
US-9101628-B2 Methods and composition of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-11 US disclosed
US-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 US disclosed
US-9035287-B2 Polymeric materials for use in metal-oxide-semiconductor field-effect transistors POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES ANIMAL CONTROL PRODUCTS LIMITED (NZ) 2015-01-22 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20120009615-A1 DIPYRROMETHENE-BORON HYDROPHILIC FLUORESCENT COMPOUNDS UNIVERSITE DE STRASBOURG (50% PART INTEREST) (FR) 2012-01-12 US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20100261722-A1 HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. 2010-10-14 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US 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 (11 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-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES CASP7, RANBP1, CASP3 KDM4E 2937/4885CYP3A4 778/4885LMNA 2399/4885
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF ECE1, CMA1, MME KDM4E 86/4885CYP3A4 193/4885LMNA 424/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885CYP3A4 24/4885LMNA 4270/4885
US-20100261722-A1 HIV INHIBITING 5, 6-SUBSTITUTED PYRIMIDINES NR0B1, NR1H3, CCR10 KDM4E 1522/4885CYP3A4 131/4885LMNA 2119/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885CYP3A4 24/4885LMNA 4270/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 KDM4E 2789/4885CYP3A4 3175/4885LMNA 1863/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 KDM4E 4710/4885CYP3A4 1116/4885LMNA 2224/4885
US-20120009615-A1 DIPYRROMETHENE-BORON HYDROPHILIC FLUORESCENT COMPOUNDS LDHB, AHR, BCR KDM4E 4804/4885CYP3A4 2316/4885LMNA 94/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 KDM4E 628/4885CYP3A4 180/4885LMNA 1234/4885
US-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 KDM4E 2415/4885CYP3A4 873/4885LMNA 1831/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 KDM4E 925/4885CYP3A4 2026/4885LMNA 1328/4885

“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.