SCHEMBL11933128

SCHEMBL11933128

CCCCOc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ FFAR4 Q5NUL3 6/20 0.35
▸ FPR2 P25090 2/20 0.35
▸ RARB P10826 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ PPARD Q03181 4/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL11933127 0.95 FPR2 (0.39) FFAR4FPR2FFAR1ALOX5APFEN1
SCHEMBL15381585 0.93 SCN9A (0.37) SCN9AFFAR4FPR2RARBFFAR1
SCHEMBL11933188 0.92 FFAR4 (0.40) SCN9AFFAR4RARBFFAR1ALOX5AP
SCHEMBL11933117 0.91 FPR2 (0.38) FFAR4FPR2ALOX5APFEN1DGAT1
SCHEMBL11933118 0.90 FFAR4 (0.41) SCN9AFFAR4FFAR1ALOX5APFEN1
SCHEMBL11933309 0.90 NAAA (0.40) SCN9AFFAR4FPR2RARBALOX5AP
SCHEMBL11933212 0.90 FFAR4 (0.37) SCN9AFFAR4RARBFFAR1ALOX5AP
SCHEMBL11933122 0.89 SCN9A (0.36) SCN9AFFAR4FPR2ALOX5APFEN1
SCHEMBL11933288 0.89 FFAR4 (0.37) SCN9AFFAR4FPR2RARBFFAR1
SCHEMBL10008471 0.88 PTPN11 (0.36) SCN9AFFAR4FPR2PPARD

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 SCN9A 2717/4885FFAR4 1038/4885FPR2 804/4885

“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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