SCHEMBL4167017

SCHEMBL4167017

CCOC(=O)c1nc(C2=C(c3cc(Cl)ccc3OCc3ccccc3F)CCC2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.57
CYP2C9 P11712 5/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4163533 0.93 PTGER1 (0.57) PTGER1CYP2C9CYP3A4CYP2C19FNTA
SCHEMBL4150317 0.91 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19FNTA
SCHEMBL4168705 0.91 PTGER1 (0.67) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4162952 0.91 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4148378 0.91 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4162750 0.90 PTGER1 (0.65) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4153804 0.88 PTGER1 (0.59) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4147647 0.88 PTGER1 (0.68) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4444095 0.88 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4163732 0.88 PTGER1 (0.61) PTGER1CYP2C9CYP3A4CYP2C19

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.