SCHEMBL4159115

SCHEMBL4159115

COC(=O)c1ccc(Cc2cc(Cl)cc3cc(C(C)C)oc23)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
PTGER1 P34995 8/20 0.47
PTGER3 P43115 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4163073 0.89 L3MBTL1 (0.48) HTTPTGER1PTGER3TP53ALDH1A1
SCHEMBL4155358 0.87 PTGER1 (0.52) PTGER1PTGER3SMN1; SMN2NPC1RAB9A
SCHEMBL4159777 0.87 PTGER1 (0.47) HTTPTGER1PTGER3CYP2D6CYP2C9
SCHEMBL4171291 0.86 PTGER1 (0.46) PTGER1PTGER3CYP2D6CYP2C9CYP2C19
SCHEMBL4165897 0.84 PTGER1 (0.49) HTTPTGER1PTGER3CYP2D6CYP2C9
SCHEMBL4171534 0.83 LNPEP (0.43) HTTPTGER1PTGER3TP53NPC1
SCHEMBL4162628 0.81 PTGER1 (0.55) HTTPTGER1PTGER3CYP2D6TP53
SCHEMBL4171470 0.81 PTGER1 (0.50) PTGER1PTGER3
SCHEMBL4173995 0.81 PTGER1 (0.44) PTGER1PTGER3CYP2D6CYP2C9CYP2C19
SCHEMBL4165133 0.81 PTGER1 (0.44) PTGER1PTGER3CYP2D6CYP2C9CYP2C19

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 HTT 4410/4885PTGER1 1/4885PTGER3 3/4885

“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.