SCHEMBL6369167

SCHEMBL6369167

Oc1ccc2c(ccc3ccc(O)cc32)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ESR1 P03372 6/20 0.46
ESR2 Q92731 6/20 0.46
HSD17B10 Q99714 3/20 0.46
HIF1A Q16665 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1B1 Q16678 1/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.45
F12 P00748 1/20 0.45
HNF4A P41235 1/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL1533447 0.92 CYP1A2 (0.57) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL1692369 0.89 CYP1A2 (0.55) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL29899643 0.89 CYP1A2 (0.55) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL670670 0.89 CYP1A2 (0.52) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL1170838 0.85 CYP1A2 (0.65) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL14809442 0.83 HPRT1 (0.64) CYP1A2HSD17B10HIF1ACYP3A4TSHR
Hydrochloric Acid SCHEMBL27891460 0.83 CYP1A2 (0.62) CYP1A2ESR1ESR2HSD17B10HIF1A
SCHEMBL27289927 0.83 HPRT1 (0.64) CYP1A2HSD17B10HIF1ATSHRTDP1
SCHEMBL26132517 0.83 HPRT1 (0.64) CYP1A2HSD17B10HIF1ACYP3A4TSHR
SCHEMBL12473664 0.83 HPRT1 (0.64) CYP1A2HSD17B10HIF1ATSHRTDP1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
CN-118255830-A S1PR2 modulators and uses thereof 北京昌平实验室 2024-06-28 CN disclosed
CN-111116699-B Cholic acid derivative and preparation method and medical application thereof 江苏豪森药业集团有限公司 2023-02-28 CN disclosed
EP-3860643-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
EP-3860642-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) St. Anna Kinderkrebsforschung (AT) 2021-08-11 EP disclosed
WO-2020070290-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
WO-2020070289-A1 A GROUP OF CHIMERIC ANTIGEN RECEPTORS (CARS) ST. ANNA KINDERKREBSFORSCHUNG (AT) 2020-04-09 WO disclosed
CN-104870612-B Liquid crystal display and the liquid crystal media with vertical plane orientation 默克专利股份有限公司 2017-09-12 CN disclosed
CN-107109056-A Resin film formation composition and resin film 日产化学工业株式会社 2017-08-29 CN disclosed
US-9676907-B2 Methods and systems of graft polymerization on a functionalized substrate ASPEN RESEARCH CORPORATION (US) 2017-06-13 US disclosed
US-20160168331-A1 METHODS AND SYSTEMS OF GRAFT POLYMERIZATION ON A FUNCTIONALIZED SUBSTRATE JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-16 US disclosed
US-9267009-B2 Methods and systems of graft polymerization on a functionalized substrate ASPEN RESEARCH CORPORATION (US) 2016-02-23 US disclosed
US-20140296366-A1 METHODS AND SYSTEMS OF GRAFT POLYMERIZATION ON A FUNCTIONALIZED SUBSTRATE ASPEN RESEARCH CORPORATION (US) 2014-10-02 US disclosed
CN-103906775-A Methods and systems of graft polymerization on functionalized substrate ASPEN RES CORP 2014-07-02 CN disclosed
WO-2013033610-A1 METHODS AND SYSTEMS OF GRAFT POLYMERIZATION ON A FUNCTIONALIZED SUBSTRATE ASPEN RESEARCH CORPORATION (US) 2013-03-07 WO disclosed
US-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 US disclosed
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
CN-1023324-C Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1993-12-29 CN disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 CYP1A2 1279/4885ESR1 4036/4885ESR2 2517/4885

“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.