SCHEMBL4170684

SCHEMBL4170684

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.53
CYP2C9 P11712 3/20 0.44
HPD P32754 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL4154785 0.93 PTGER1 (0.55) PTGER1CYP2C9MRGPRX4
SCHEMBL4161479 0.92 PTGER1 (0.49) PTGER1CYP2C9HPD
SCHEMBL4154783 0.90 PTGER1 (0.54) PTGER1CYP2C9HPDMRGPRX4
SCHEMBL4170585 0.86 PTGER1 (0.48) PTGER1CYP2C9HPD
SCHEMBL4160180 0.85 PTGER1 (0.46) PTGER1CYP2C9MRGPRX4
SCHEMBL13697207 0.85 PTGER1 (0.48) PTGER1CYP2C9MRGPRX4
SCHEMBL4150443 0.85 PTGER1 (0.53) PTGER1CYP2C9MRGPRX4
SCHEMBL13697257 0.85 PTGER1 (0.48) PTGER1CYP2C9MRGPRX4
SCHEMBL4168867 0.85 PTGER1 (0.54) PTGER1CYP2C9MRGPRX4
SCHEMBL4161996 0.85 PTGER1 (0.60) PTGER1CYP2C9MRGPRX4

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 2 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

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 5/4885HPD 2888/4885

“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.