SCHEMBL13697211

SCHEMBL13697211

O=C(O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccc(F)cc3)CCC2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.51
CYP2C9 P11712 3/20 0.51
MRGPRX4 Q96LA9 2/20 0.42
PPARA Q07869 1/20 0.40
LRRK2 Q5S007 1/20 0.39
SRPK3 Q9UPE1 1/20 0.39
PTGS2 P35354 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
SCHEMBL4163567 0.99 PTGER1 (0.51) PTGER1CYP2C9MRGPRX4PPARALRRK2
SCHEMBL4156657 0.95 PTGER1 (0.51) PTGER1CYP2C9MRGPRX4PTGS2
SCHEMBL13697196 0.94 PTGER1 (0.55) PTGER1CYP2C9MRGPRX4LRRK2
SCHEMBL4158458 0.93 PTGER1 (0.54) PTGER1CYP2C9MRGPRX4LRRK2
SCHEMBL4163564 0.91 PTGER1 (0.46) PTGER1CYP2C9MRGPRX4LRRK2SRPK3
SCHEMBL13697210 0.90 PTGER1 (0.51) PTGER1CYP2C9PTGS2
SCHEMBL4155833 0.89 PTGER1 (0.42) PTGER1CYP2C9MRGPRX4PTGS2
SCHEMBL4150643 0.89 PTGER1 (0.46) PTGER1CYP2C9LRRK2SRPK3PTGS2
SCHEMBL4163458 0.89 PTGER1 (0.50) PTGER1CYP2C9PTGS2
SCHEMBL4162453 0.88 PTGER1 (0.60) PTGER1CYP2C9MRGPRX4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885MRGPRX4 435/4885

“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.