SCHEMBL4660302

SCHEMBL4660302

Oc1cccc2cccc(-c3cccc4cccc(O)c34)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HSD17B10 Q99714 7/20 0.57
TSHR P16473 5/20 0.57
MAPK1 P28482 4/20 0.57
ATM Q13315 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MCL1 Q07820 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DNMT1 P26358 2/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
HPGD P15428 5/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 2/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 3/20 0.46

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
SCHEMBL16050549 0.87 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL30476092 0.87 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL29363189 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL70219 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL18347018 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL30704460 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL16051127 0.84 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL7126508 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRL3MBTL1MCL1
SCHEMBL9115296 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRMAPK1ATM
Catechol SCHEMBL8935190 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10072405-A None JP disclosed
JP-9169786-A None JP disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
EP-2841422-B1 METHODS FOR THE SYNTHESIS OF ETHYLFUMARATES AND THEIR USE AS INTERMEDIATES MANNKIND CORP (US) 2019-08-28 EP disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 US disclosed
EP-3077382-A2 SUBSTITUTED OXEPINES Merck Patent GmbH (DE) 2016-10-12 EP disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed
EP-1768943-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 1,1'-SPIROBIINDANE-6,6'-DIOL DERIVATIVES IND TECH RES INST (CN) 2008-12-17 EP disclosed
US-6916940-B2 Method for producing cyclic carboxylic orthoester fluorides and corresponding compounds MERCK PATENT GMBH (DE) 2005-07-12 US disclosed
US-20040054196-A1 Method for producing cyclic carboxylic orthoester fluorides and corresponding compounds MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2004-03-18 US disclosed
EP-1326855-A1 METHOD FOR PRODUCING CYCLIC CARBOXYLIC ORTHOESTER FLUORIDES AND CORRESPONDING COMPOUNDS MERCK PATENT GmbH (DE) 2003-07-16 EP disclosed
WO-2002034740-A1 METHOD FOR PRODUCING CYCLIC CARBOXYLIC ORTHOESTER FLUORIDES AND CORRESPONDING COMPOUNDS MERCK PATENT GMBH (DE) 2002-05-02 WO disclosed
JP-H1072405-A OPTICALLY ACTIVE ALPHA, BETA-UNSATURATED ESTER AND OPTICALLY ACTIVE ESTER COMPOUND DERIVED THEREFROM NAGASE & CO LTD 1998-03-17 JP disclosed
JP-H09169786-A TERTIARY PHOSPHINE COMPOUND AND ITS USE FUJISAWA PHARMACEUT CO LTD 1997-06-30 JP 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885TSHR 4405/4885
US-20040054196-A1 Method for producing cyclic carboxylic orthoester fluorides and corresponding compounds OXSR1, CBR3, PFAS ALDH1A1 1093/4885HSD17B10 975/4885TSHR 116/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885TSHR 4405/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ALDH1A1 1740/4885HSD17B10 4302/4885TSHR 4405/4885

“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.