SCHEMBL4158466

SCHEMBL4158466

O=C(O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3c(F)ccc(F)c3F)CCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.42
CYP2C9 P11712 2/20 0.41
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
FFAR4 Q5NUL3 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL4159558 0.93 PTGER1 (0.44) PTGER1CYP2C9PTGS2PTGS1MRGPRX4
SCHEMBL4155833 0.91 PTGER1 (0.42) PTGER1CYP2C9PTGS2PTGS1MRGPRX4
SCHEMBL4159316 0.89 MRGPRX4 (0.42) PTGER1CYP2C9PTGS2MRGPRX4
SCHEMBL13697196 0.88 PTGER1 (0.55) PTGER1CYP2C9MRGPRX4
SCHEMBL4156657 0.88 PTGER1 (0.51) PTGER1CYP2C9PTGS2PTGS1MRGPRX4
SCHEMBL4149084 0.88 PTGER1 (0.45) PTGER1CYP2C9PTGS2MRGPRX4
SCHEMBL4158458 0.88 PTGER1 (0.54) PTGER1CYP2C9MRGPRX4
SCHEMBL4154244 0.88 PTGER1 (0.42) PTGER1CYP2C9PTGS2PTGS1MRGPRX4
SCHEMBL13697211 0.88 PTGER1 (0.51) PTGER1CYP2C9PTGS2MRGPRX4
SCHEMBL4163567 0.87 PTGER1 (0.51) PTGER1CYP2C9PTGS2MRGPRX4

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 5/4885PTGS2 1333/4885

“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.