SCHEMBL2149062

SCHEMBL2149062

CSc1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.86
CYP2A6 P11509 3/20 0.46
FBP1 P09467 1/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
DRD1 P21728 1/20 0.42
GSK3B P49841 1/20 0.42
TYR P14679 1/20 0.41
CYP2A13 Q16696 1/20 0.41
PTGS2 P35354 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL195687 0.93 ALDH1A1 (1.00) ALDH1A1CYP2A6FBP1CYP1A1CYP1A2
SCHEMBL19914058 0.86 ALDH1A1 (0.86) ALDH1A1CYP2A6FBP1CYP1A1CYP1A2
SCHEMBL21738358 0.81 ALDH1A1 (0.76) ALDH1A1CYP2A6FBP1CYP1A1CYP1A2
SCHEMBL28538380 0.81 ALDH1A1 (0.76) ALDH1A1CYP2A6FBP1CYP1A1CYP1A2
SCHEMBL9264469 0.81 ALDH1A1 (0.76) ALDH1A1CYP2A6FBP1CYP1A1CYP1A2
SCHEMBL21770156 0.81 ALDH1A1 (0.57) ALDH1A1CYP2A6DRD1PTGS2AKR1C3
SCHEMBL25288128 0.80 CYP2A6 (0.58) ALDH1A1CYP2A6DRD1TYRCYP2A13
SCHEMBL10300271 0.80 ALDH1A1 (0.50) ALDH1A1PTGS2HAO1
SCHEMBL976904 0.80 CYP2A6 (0.58) ALDH1A1CYP2A6DRD1TYRCYP2A13
SCHEMBL1666706 0.80 CYP2A6 (0.58) ALDH1A1CYP2A6DRD1TYRCYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720840-B1 CATHEPSIN INHIBITORS ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2022-01-19 EP disclosed
US-20150087498-A1 Production of Graphene and Nanoparticle Catalysts Supported on Graphene Using Microwave Radiation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-03-26 US disclosed
US-8871171-B2 Production of graphene and nanoparticle catalysts supported on graphene using microwave radiation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-10-28 US disclosed
US-20130211106-A1 PRODUCTION OF GRAPHENE AND NANOPARTICLE CATALYSTS SUPPORTED ON GRAPHENE USING MICROWAVE RADIATION NATIONAL SCIENCE FOUNDATION 2013-08-15 US disclosed
US-8507726-B2 Photoinitiator mixtures BASF SE (DE) 2013-08-13 US disclosed
US-20110218266-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2011-09-08 US disclosed
EP-2342237-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2011-07-13 EP disclosed
WO-2010060702-A1 PHOTOINITIATOR MIXTURES BASF SE (DE) 2010-06-03 WO disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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 (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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B ALDH1A1 505/4885CYP2A6 1091/4885FBP1 346/4885

“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.