SCHEMBL13697406

SCHEMBL13697406

CCCCOc1ccc(Cl)cc1C1=C(c2cnc(C(F)(F)F)c(C(=O)OC)c2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.50
CYP2C9 P11712 6/20 0.50
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
EIF4EBP1 Q13541 2/20 0.36
PPARD Q03181 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
SCHEMBL4159290 0.86 PTGER1 (0.61) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4156313 0.86 PTGER1 (0.54) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4164013 0.86 PTGER1 (0.70) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4164130 0.85 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4444586 0.85 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL13696809 0.85 PTGER1 (0.53) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4153423 0.85 PTGER1 (0.55) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4157965 0.85 PTGER1 (0.45) PTGER1CYP2C9KDM4ETP53MAPT
SCHEMBL4158601 0.84 PTGER1 (0.57) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4160093 0.84 PTGER1 (0.57) 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 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 5/4885CNR1 32/4885

“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.