SCHEMBL11933331

SCHEMBL11933331

CCCOc1ccc(-c2ccc(OCC3CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.40
PPARD Q03181 8/20 0.40
ACACB O00763 1/20 0.35
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
SCHEMBL11933332 0.96 FFAR1 (0.40) FFAR1PPARDALOX5APFEN1
SCHEMBL11933330 0.93 FFAR1 (0.41) FFAR1PPARD
SCHEMBL15381535 0.89 FFAR1 (0.36) FFAR1PPARDALOX5APFEN1
SCHEMBL15381769 0.88 FFAR1 (0.38) FFAR1PPARD
SCHEMBL11933180 0.87 FEN1 (0.37) FFAR1PPARDALOX5APFEN1
SCHEMBL11933328 0.87 FEN1 (0.37) FFAR1PPARDALOX5APFEN1
SCHEMBL10302439 0.86 FFAR1 (0.41) FFAR1PPARDACACB
SCHEMBL11933124 0.85 FPR2 (0.36) ACACBALOX5APFEN1
SCHEMBL11933334 0.85 FFAR4 (0.39) FFAR1PPARDALOX5APFEN1
SCHEMBL12196471 0.84 FEN1 (0.35) FFAR1PPARDALOX5APFEN1

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 1968/4885ACACB 2039/4885

“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.