SCHEMBL3751809

SCHEMBL3751809

COc1ccc(I)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
AOC3 Q16853 2/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL31571429 1.00 CYP1A1 (0.40) CYP1A1CYP1B1AOC3MAPTTDP1
SCHEMBL9376529 0.89 SMN1; SMN2 (0.44) CYP1A1CYP1B1MAPTALDH1A1POLB
SCHEMBL31013129 0.87 ALDH1A1 (0.43) MAPTTDP1ALDH1A1POLBKDM4E
SCHEMBL881613 0.87 ALDH1A1 (0.43) MAPTTDP1ALDH1A1POLBKDM4E
SCHEMBL3674074 0.84 CA9 (0.50) CYP1A1CYP1B1AOC3MAPTTDP1
SCHEMBL30701949 0.84 CA9 (0.50) CYP1A1CYP1B1AOC3MAPTTDP1
SCHEMBL1494033 0.83 MAPT (0.38) CYP1A1CYP1B1AOC3MAPTTDP1
SCHEMBL28143595 0.83 CA9 (0.36) MAPTTDP1ALDH1A1POLBKMT2A
SCHEMBL27814462 0.81 KDM4E (0.42) MAPTTDP1ALDH1A1POLBCYP19A1
SCHEMBL3745577 0.80 TSHR (0.44) MAPTTDP1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104262114-A Preparation method of 2,3,4-trimethoxy iodobenzene UNIV HENAN SCIENCE & TECH 2015-01-07 CN claimed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
CN-104945389-B A kind of mountain ketone colour contamination ketone compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-13 CN disclosed
CN-104262229-B Preparation method of 2-phenyl substituted-3-benzoyl substituted indole 广东颐正达医药科技有限公司 2016-10-05 CN disclosed
CN-104230682-B A kind of method preparing alkoxyl iodobenzene 河南科技大学 2016-09-07 CN disclosed
CN-104945389-A Xanthone cross-color ketone compound as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2015-09-30 CN disclosed
CN-103172480-B Method for preparing iodo aromatic hydrocarbon UNIV HENAN SCIENCE & TECH 2015-01-21 CN disclosed
CN-104262114-A Preparation method of 2,3,4-trimethoxy iodobenzene UNIV HENAN SCIENCE & TECH 2015-01-07 CN disclosed
CN-104262114-A Preparation method of 2,3,4-trimethoxy iodobenzene UNIV HENAN SCIENCE & TECH 2015-01-07 CN disclosed
CN-104262114-A Preparation method of 2,3,4-trimethoxy iodobenzene UNIV HENAN SCIENCE & TECH 2015-01-07 CN disclosed
EP-1513515-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-16 EP disclosed
WO-2003096982-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 WO disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
EP-0584222-B1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE POULENC RORER INT (US) 1997-10-08 EP disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 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 (1 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 CYP1A1 189/4885CYP1B1 295/4885AOC3 360/4885

“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.