SCHEMBL11933332

SCHEMBL11933332

CCCCOc1ccc(-c2ccc(OCC3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.40
PPARD Q03181 7/20 0.40
FFAR4 Q5NUL3 1/20 0.34
SCN9A Q15858 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL11933331 0.96 FFAR1 (0.40) FFAR1PPARDALOX5APFEN1
SCHEMBL11933330 0.93 FFAR1 (0.41) FFAR1PPARD
SCHEMBL15381535 0.93 FFAR1 (0.36) FFAR1PPARDSCN9AALOX5APFEN1
SCHEMBL11933328 0.91 FEN1 (0.37) FFAR1PPARDSCN9AALOX5APFEN1
SCHEMBL11933180 0.91 FEN1 (0.37) FFAR1PPARDSCN9AALOX5APFEN1
SCHEMBL10302439 0.90 FFAR1 (0.41) FFAR1PPARDSCN9A
SCHEMBL12196471 0.88 FEN1 (0.35) FFAR1PPARDSCN9AALOX5APFEN1
SCHEMBL15381769 0.88 FFAR1 (0.38) FFAR1PPARD
SCHEMBL10302447 0.87 FFAR1 (0.40) FFAR1PPARDSCN9A
SCHEMBL10302327 0.87 ALOX5AP (0.35) FFAR1PPARDSCN9AALOX5APFEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 FFAR1 113/4885PPARD 1968/4885FFAR4 1038/4885

“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.