SCHEMBL4154558

SCHEMBL4154558

CCOC(=O)c1cc(F)cc(C2=C(c3cc(Cl)cnc3OCc3ccc(Cl)cc3F)CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 16/20 0.48
CYP2C9 P11712 5/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HPD P32754 2/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL13696898 0.95 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19S1PR1
SCHEMBL4147391 0.92 PTGER1 (0.41) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4154923 0.92 PTGER1 (0.42) PTGER1CYP2C9CYP3A4CYP2C19S1PR1
SCHEMBL13697206 0.89 PTGER1 (0.58) PTGER1CYP2C9CYP3A4CYP2C19HPD
SCHEMBL4170628 0.88 PTGER1 (0.57) PTGER1CYP2C9CYP3A4CYP2C19HPD
SCHEMBL4154789 0.88 PTGER1 (0.38) PTGER1CYP2C9CYP3A4CYP2C19S1PR1
SCHEMBL4166693 0.88 PTGER1 (0.38) PTGER1CYP2C9CYP3A4CYP2C19S1PR1
SCHEMBL4163918 0.87 PTGER1 (0.50) PTGER1CYP2C9
SCHEMBL4170625 0.87 PTGER1 (0.52) PTGER1CYP2C9CYP3A4CYP2C19HPD
SCHEMBL4154379 0.87 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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 (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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B PTGER1 246/4885CYP2C9 5/4885CYP3A4 271/4885

“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.