SCHEMBL4154952

SCHEMBL4154952

CCOC(=O)c1cc(C(F)(F)F)cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)c(F)c3)CCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.48
CYP2C9 P11712 6/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.39
RXRG P48443 2/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 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
SCHEMBL4154555 0.94 PTGER1 (0.48) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL13697386 0.93 PTGER1 (0.46) PTGER1CYP2C9CYP3A4CYP2C19MAOB
SCHEMBL4158285 0.93 PTGER1 (0.54) PTGER1CYP2C9CYP3A4CYP2C19MAOB
SCHEMBL4446141 0.92 PTGER1 (0.51) PTGER1CYP2C9CYP3A4CYP2C19MAOB
SCHEMBL4160002 0.89 PTGER1 (0.51) PTGER1CYP2C9MAOBMRGPRX4RXRG
SCHEMBL4149741 0.89 PTGER1 (0.61) PTGER1CYP2C9CYP3A4CYP2C19MAOB
SCHEMBL13697489 0.89 PTGER1 (0.58) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4151680 0.88 PTGER1 (0.51) PTGER1CYP2C9CYP3A4CYP2C19MRGPRX4
SCHEMBL4160136 0.88 PTGER1 (0.45) PTGER1CYP2C9CYP3A4CYP2C19MAOB
SCHEMBL4168815 0.87 PTGER1 (0.48) 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 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 5/4885CYP3A4 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.