SCHEMBL4162771

SCHEMBL4162771

COC(=O)c1cncc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)cc3)CCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.54
CYP2C9 P11712 5/20 0.54
LRRK2 Q5S007 3/20 0.44
SRPK3 Q9UPE1 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL4162756 0.93 PTGER1 (0.53) PTGER1CYP2C9LRRK2SRPK3MRGPRX4
SCHEMBL4165881 0.93 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4447519 0.91 PTGER1 (0.62) PTGER1CYP2C9LRRK2SRPK3CYP3A4
SCHEMBL4167210 0.90 PTGER1 (0.66) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL5621729 0.89 PTGER1 (0.54) PTGER1CYP2C9LRRK2SRPK3CYP3A4
SCHEMBL4449314 0.88 PTGER1 (0.60) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4159543 0.87 PTGER1 (0.54) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4155954 0.85 PTGER1 (0.64) PTGER1CYP2C9CYP3A4CYP2C19PPARD
SCHEMBL4159166 0.85 PTGER1 (0.56) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL5619281 0.84 PTGER1 (0.70) PTGER1CYP2C9LRRK2CYP3A4CYP2C19

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 5/4885LRRK2 2656/4885

“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.