SCHEMBL11939798

SCHEMBL11939798

CCOc1ccc(-c2ccc(C3CCC(COc4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ FFAR1 O14842 4/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL11939002 0.92 FPR2 (0.38) FFAR4DGAT1ALOX5APFEN1FPR2
SCHEMBL12836501 0.91 FFAR4 (0.34) FFAR4CNR2FFAR1DGAT1GPR119
SCHEMBL15381702 0.91 FFAR4 (0.39) FFAR4SCN9ADGAT1ALOX5APFEN1
SCHEMBL11939142 0.90 FFAR4 (0.35) FFAR4CNR2FFAR1SCN9ADGAT1
SCHEMBL11939352 0.88 CNR2 (0.37) CNR2ALOX5APFEN1
SCHEMBL11939324 0.88 CNR2 (0.37) CNR2ALOX5APFEN1
SCHEMBL13653969 0.86 FFAR1 (0.42) CNR2FFAR1GPR119
SCHEMBL11933186 0.86 FFAR1 (0.37) FFAR4FFAR1SCN9ADGAT1ALOX5AP
SCHEMBL11939150 0.86 NAAA (0.40) FFAR4GPR119ALOX5APFEN1FPR2
SCHEMBL12223501 0.86 CNR2 (0.40) CNR2FFAR1SCN9AALOX5APFEN1

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-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 FFAR4 1038/4885CNR2 474/4885FFAR1 113/4885

“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.

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