SCHEMBL4171291

SCHEMBL4171291

CC(C)c1cc2cc(Cl)cc(Cc3ccc(C(N)=O)o3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.46
PTGER3 P43115 1/20 0.46
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4155358 0.89 PTGER1 (0.52) PTGER1PTGER3
SCHEMBL4159777 0.89 PTGER1 (0.47) PTGER1PTGER3GAACYP1A2CYP3A4
SCHEMBL4159115 0.86 HTT (0.52) PTGER1PTGER3ALDH1A1CYP1A2CYP3A4
SCHEMBL4164383 0.85 MEN1 (0.49) PTGER1PTGER3GAAALDH1A1CYP1A2
SCHEMBL4163073 0.84 L3MBTL1 (0.48) PTGER1PTGER3GAAALDH1A1
SCHEMBL4165897 0.84 PTGER1 (0.49) PTGER1PTGER3GAAALDH1A1CYP1A2
SCHEMBL4173995 0.82 PTGER1 (0.44) PTGER1PTGER3GAACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4160798 0.82 PTGER1 (0.44) PTGER1PTGER3GAACYP1A2CYP3A4
SCHEMBL3203502 0.81 PTGER1 (0.45) PTGER1GAAALDH1A1CYP3A4
SCHEMBL4162628 0.81 PTGER1 (0.55) PTGER1PTGER3ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2001872-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists PTGER1, PTGER2, PTGER3 PTGER1 1/4885PTGER3 3/4885GAA 4590/4885

“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.