SCHEMBL298628

SCHEMBL298628

O=C(O)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.53
BCAT2 O15382 1/20 0.52
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MYC P01106 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LTB4R2 Q9NPC1 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 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
Water SCHEMBL27287652 0.87 HNF4A (0.67) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL26624744 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1ALOX15FABP3
Benzene SCHEMBL1403559 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL18759613 0.85 HNF4A (0.63) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL133057 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1ALOX15FABP3
Benzene SCHEMBL28480917 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL30292805 0.85 HNF4A (0.63) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL6202068 0.83 HNF4A (0.73) HNF4AALDH1A1ALOX15FABP3FABP4
SCHEMBL9065313 0.83 HNF4A (0.49) HNF4ABCAT2ALDH1A1ALOX15FABP3
SCHEMBL17371707 0.83 HNF4A (0.67) HNF4ABCAT2ALDH1A1ALOX15FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
US-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
EP-2292592-B1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF ASAHI KASEI PHARMA CORP (JP) 2012-09-05 EP disclosed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
EP-2292592-A1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF Asahi Kasei Pharma Corporation (JP) 2011-03-09 EP disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
US-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 US disclosed
EP-1501897-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2003091345-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 WO disclosed
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 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 (5 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-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES CLIC1, PNPO, CLIC4 HNF4A 4253/4885BCAT2 2864/4885ALDH1A1 1464/4885
US-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF CYP4X1, CYP3A7, CYP4Z1 HNF4A 977/4885BCAT2 1942/4885ALDH1A1 1143/4885
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides CBR1, CBR3, SCO2 HNF4A 2315/4885BCAT2 2307/4885ALDH1A1 2188/4885
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 HNF4A 3408/4885BCAT2 2713/4885ALDH1A1 1227/4885
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE PTH1R, CASR, SOST HNF4A 1027/4885BCAT2 2700/4885ALDH1A1 3531/4885

“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.