SCHEMBL4166012

SCHEMBL4166012

O=C(O)c1cc(C2=C(c3ccc[nH]c3=O)CCC2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
PTGER1 P34995 8/20 0.41
ACMSD Q8TDX5 1/20 0.39
PARP1 P09874 2/20 0.38
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4146706 0.82 PTGER1 (0.40) PTGER1PARP1PTGS2PTGS1CYP2C9
SCHEMBL13696734 0.77 ACMSD (0.41) NAPRTPTGER1ACMSDCYP2C9
SCHEMBL4154619 0.71 PTGER1 (0.50) PTGER1CYP2C9
SCHEMBL13696730 0.71 PTGER1 (0.40) PTGER1ACMSDPTGS2CYP2C9
SCHEMBL13697486 0.70 MCL1 (0.46) PTGER1CYP2C9
SCHEMBL4156359 0.69 PTGER1 (0.52) PTGER1CYP2C9
SCHEMBL4158942 0.69 PTGER1 (0.43) NAPRTPTGER1ACMSDCYP2C9CYP3A4
SCHEMBL14499166 0.69 PTGER1 (0.72) PTGER1CYP2C9CYP3A4
SCHEMBL4153413 0.69 KDM4E (0.39) PTGER1PTGS2CYP2C9
SCHEMBL13697213 0.68 PTGER1 (0.58) PTGER1CYP2C9CYP3A4

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
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B NAPRT 4802/4885PTGER1 246/4885ACMSD 1628/4885

“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.