SCHEMBL4159543

SCHEMBL4159543

COC(=O)c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccccc3F)CCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.54
CYP2C9 P11712 4/20 0.54
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.42
CTSA P10619 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL4167210 0.91 PTGER1 (0.66) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4151451 0.91 PTGER1 (0.65) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL13696787 0.90 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4159166 0.90 PTGER1 (0.56) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4162771 0.87 PTGER1 (0.54) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4449314 0.87 PTGER1 (0.60) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4168629 0.85 PTGER1 (0.52) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4162756 0.85 PTGER1 (0.53) PTGER1CYP2C9MRGPRX4
SCHEMBL4165881 0.85 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL13697466 0.82 PTGER1 (0.58) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4

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.