SCHEMBL789388

SCHEMBL789388

CC(=O)Oc1ccc(Br)cc1C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.63
CFD P00746 2/20 0.58
MAOA P21397 1/20 0.50
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
GGT1 P19440 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 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
SCHEMBL25027 0.89 CFD (0.73) PTGDR2CFDKDM4EALDH1A1HSD17B10
SCHEMBL10119527 0.87 CFD (0.51) PTGDR2CFDMAOAKDM4EALDH1A1
SCHEMBL29951572 0.87 PTGDR2 (0.66) PTGDR2CFDMAOAKDM4EALDH1A1
SCHEMBL3382142 0.85 CFD (0.54) PTGDR2CFDMAOAKDM4EALDH1A1
SCHEMBL1821903 0.85 PTGDR2 (0.63) PTGDR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3453790 0.84 TSHR (0.58) PTGDR2CFDKDM4EALDH1A1HSD17B10
SCHEMBL1603859 0.84 HSD17B10 (0.58) PTGDR2CFDKDM4EALDH1A1HSD17B10
SCHEMBL4314746 0.82 CFD (0.55) PTGDR2CFDKDM4EALDH1A1HSD17B10
SCHEMBL16397172 0.81 CFD (0.53) PTGDR2CFDKDM4EALDH1A1HSD17B10
SCHEMBL1737797 0.81 CFD (0.53) CFDKDM4EALDH1A1HSD17B10PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
EP-2538787-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-01-02 EP disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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 (2 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PTGDR2 860/4885CFD 3710/4885MAOA 3410/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PTGDR2 860/4885CFD 3710/4885MAOA 3410/4885

“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.