SCHEMBL3768878

SCHEMBL3768878

Fc1ccc(/C(=C/c2cccc(Cl)c2)CCl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
FBP1 P09467 1/20 0.38
PPARG P37231 1/20 0.38
MAPK14 Q16539 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CHRM5 P08912 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGS2 P35354 1/20 0.35
NFE2L2 Q16236 2/20 0.35
MDM2 Q00987 1/20 0.34
CHAT P28329 1/20 0.34

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
SCHEMBL3768883 1.00 PTGS1 (0.41) PTGS1FBP1PPARGMAPK14CES2
SCHEMBL3663676 0.92 FBP1 (0.40) PTGS1FBP1CHRM5CYP1A2CYP2C9
SCHEMBL3772088 0.92 FBP1 (0.40) PTGS1FBP1CHRM5CYP1A2CYP2C9
SCHEMBL3769833 0.90 MDM2 (0.40) PTGS1FBP1PPARGCES2CES1
SCHEMBL3769829 0.90 MDM2 (0.40) PTGS1FBP1PPARGCES2CES1
SCHEMBL3776425 0.87 CES2 (0.40) PTGS1CES2CES1PTGS2MDM2
SCHEMBL3776421 0.87 CES2 (0.40) PTGS1CES2CES1PTGS2MDM2
SCHEMBL3769981 0.85 PTGS1 (0.43) PTGS1PPARGCES2CES1CYP1A2
SCHEMBL3769986 0.85 PTGS1 (0.43) PTGS1PPARGCES2CES1CYP1A2
SCHEMBL3769281 0.84 CES2 (0.40) PTGS1CES2CES1NFE2L2

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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 PTGS1 259/4885FBP1 855/4885PPARG 2216/4885

“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.