SCHEMBL204976

SCHEMBL204976

Cc1cc(C)c(C=O)c(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
MAPT P10636 2/20 0.44
ERN1 O75460 4/20 0.41
MAOB P27338 1/20 0.39
PTGES O14684 1/20 0.39
PTPN1 P18031 1/20 0.39
USP2 O75604 2/20 0.39
ALB P02768 2/20 0.39
BCL2 P10415 2/20 0.38
MCL1 Q07820 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LDHA P00338 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 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
SCHEMBL25342989 0.88 CYP3A4 (0.48) CYP3A4MAPTERN1USP2ALB
SCHEMBL17311322 0.84 CYP3A4 (0.52) CYP3A4MAPTERN1PTGESPTPN1
SCHEMBL29516419 0.82 CYP3A4 (0.44) CYP3A4MAPTERN1MAOBPTGES
SCHEMBL363023 0.82 CYP3A4 (0.44) CYP3A4MAPTERN1MAOBPTGES
SCHEMBL1313257 0.78 CYP3A4 (0.35) CYP3A4MAPTERN1MAOBPTGES
SCHEMBL5143404 0.78 ERN1 (0.49) CYP3A4MAPTERN1PTGESPTPN1
SCHEMBL6551606 0.78 CYP3A4 (0.38) CYP3A4MAPTERN1USP2ALB
SCHEMBL1311847 0.78 CYP3A4 (0.38) CYP3A4MAPTERN1MAOBPTGES
SCHEMBL2044971 0.77 PDXK (0.35) ALDH1A1LMNAHPGDESR1GAA
SCHEMBL29955713 0.77 CYP3A4 (0.53) CYP3A4MAPTERN1PTGESPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960303-B1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATTER, AND HIGH-MOLECULAR-WEIGHT POLYMERIZATION INITIATOR FUJIFILM CORP (JP) 2019-10-09 EP disclosed
US-9902865-B2 Ink composition, inkjet recording method, printed matter, and high-molecular-weight polymerization initiator FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed
EP-2960303-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATTER, AND HIGH-MOLECULAR-WEIGHT POLYMERIZATION INITIATOR Fujifilm Corporation (JP) 2015-12-30 EP disclosed
US-20150344711-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATTER, AND HIGH-MOLECULAR-WEIGHT POLYMERIZATION INITIATOR FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed
CN-104995266-A Ink composition, ink jet recording method, printed matter, and polymer polymerization initiator FUJIFILM CORP 2015-10-21 CN disclosed
CN-102731451-B Fused ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2015-07-29 CN disclosed
EP-2743268-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
EP-2743268-A2 Fused cyclic compounds as GPR40 receptor modulators Takeda Pharmaceutical Company Limited (JP) 2014-06-18 EP disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-20140080891-A1 FUSED CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
CN-1437587-A Benzoxazepinones and their use as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-08-20 CN disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
US-20010012901-A1 Sulphonyl compounds for use as linkers in solid phase and combinatorial synthesis FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2001-08-09 US disclosed
US-6225480-B1 FOR SYNTHESIS OF ORGANIC COMPOUNDS CONTAINING--NH--GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 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 (3 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-20140080891-A1 FUSED CYCLIC COMPOUNDS GPR119, GLP1R, GPR65 CYP3A4 1696/4885MAPT 4546/4885ERN1 2727/4885
US-20010012901-A1 Sulphonyl compounds for use as linkers in solid phase and combinatorial synthesis H1-0, H1-2, ASH2L CYP3A4 2963/4885MAPT 3715/4885ERN1 1198/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 CYP3A4 538/4885MAPT 4824/4885ERN1 2029/4885

“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.