SCHEMBL13697210

SCHEMBL13697210

O=C(O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3OCc3ccc(F)cc3F)CCC2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.51
CYP2C9 P11712 5/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALKBH1 Q13686 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL4163458 0.99 PTGER1 (0.50) PTGER1CYP2C9CYP3A4CYP2C19ALKBH1
SCHEMBL4162446 0.94 PTGER1 (0.45) PTGER1CYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL4159296 0.93 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19
SCHEMBL4163455 0.92 PTGER1 (0.47) PTGER1CYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL4170585 0.92 PTGER1 (0.48) PTGER1CYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL4154244 0.91 PTGER1 (0.42) PTGER1CYP2C9PTGS2PTGS1
SCHEMBL13697256 0.90 PTGER1 (0.45) PTGER1CYP2C9CYP3A4CYP2C19PTGS2
SCHEMBL13697211 0.90 PTGER1 (0.51) PTGER1CYP2C9PTGS2
SCHEMBL4155833 0.90 PTGER1 (0.42) PTGER1CYP2C9PTGS2PTGS1
SCHEMBL4162608 0.89 PTGER1 (0.44) PTGER1CYP2C9CYP3A4CYP2C19PTGS2

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.