SCHEMBL3789969

SCHEMBL3789969

O=Cc1ccc2ccoc2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.71
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
HTR1B P28222 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL29951028 1.00 CYP2A6 (0.71) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL719619 0.83 CYP2A6 (1.00) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL15823776 0.79 CYP2A6 (0.46) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL6598921 0.79 CYP2A6 (0.46) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL8040622 0.79 CYP2A6 (0.46) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL6543324 0.76 CYP2A6 (0.43) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL9754623 0.76 CYP2A6 (0.65) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL16686612 0.75 KDM4E (0.52) CYP2A6KDM4EHSD17B10CYP3A4CYP2D6
SCHEMBL11769290 0.75 RELA (0.55) CYP2A6MAOAALDH1A1
SCHEMBL11769294 0.75 RELA (0.55) CYP2A6MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124698-A1 ARYL SULFONE AND SULFANONE DERIVATIVES AS OREXIN RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-19 WO disclosed
US-12020872-B2 Stilbene and fused stilbene derivatives as solar cell dyes Ambient Photonics, Inc. (US) 2024-06-25 US disclosed
EP-3645529-B1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2023-11-22 EP disclosed
US-11767305-B2 Advantageous benzofuran compositions for mental disorders or enhancement TACTOGEN INC (US) 2023-09-26 US disclosed
US-11767305-B2 Advantageous benzofuran compositions for mental disorders or enhancement TACTOGEN INC (US) 2023-09-26 US disclosed
EP-3621957-B1 FUSED STILBENE DERIVATIVES AS SOLAR CELL DYES AMBIENT PHOTONICS INC (US) 2023-08-23 EP disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed
WO-2023107653-A2 BENZOFURAN SALT MORPHIC FORMS AND MIXTURES FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed
US-11664171-B2 Stilbene and fused stilbene derivatives as solar cell dyes Ambient Photonics, Inc. (US) 2023-05-30 US disclosed
US-20230150963-A1 ADVANTAGEOUS BENZOFURAN COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC. (US) 2023-05-18 US disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 WO disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 EP disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 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 (4 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-11767305-B2 Advantageous benzofuran compositions for mental disorders or enhancement BDNF, CREBBP, ELF3 CYP2A6 884/4885KDM4E 1815/4885HSD17B10 1390/4885
US-20230150963-A1 ADVANTAGEOUS BENZOFURAN COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT BDNF, CREBBP, ELF3 CYP2A6 884/4885KDM4E 1815/4885HSD17B10 1390/4885
US-12020872-B2 Stilbene and fused stilbene derivatives as solar cell dyes FDFT1, SUN2, CDC73 CYP2A6 3770/4885KDM4E 2392/4885HSD17B10 925/4885
US-11664171-B2 Stilbene and fused stilbene derivatives as solar cell dyes SUN2, FDFT1, SIK1 CYP2A6 3785/4885KDM4E 1702/4885HSD17B10 920/4885

“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.