SCHEMBL11933211

SCHEMBL11933211

CCCOc1ccc(-c2ccc(C3CCC(OCc4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 6/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.34
▸ FPR2 P25090 3/20 0.34
▸ PPARD Q03181 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL11933212 0.95 FFAR4 (0.37) NAAAGABRA1GABRB2FFAR4PPARD
SCHEMBL11933210 0.93 NAAA (0.42) NAAAFFAR4FPR2ALOX5APFEN1
SCHEMBL11933307 0.93 NAAA (0.40) NAAAGABRA1GABRB2FFAR4FPR2
SCHEMBL11933127 0.89 FPR2 (0.39) GABRA1GABRB2FFAR4FPR2PPARD
SCHEMBL15381520 0.89 NAAA (0.41) NAAAGABRA1GABRB2FFAR4FPR2
SCHEMBL15381718 0.88 NAAA (0.45) NAAAFFAR4FPR2ALOX5APFEN1
SCHEMBL11933309 0.88 NAAA (0.40) NAAAGABRA1GABRB2FFAR4FPR2
SCHEMBL11933162 0.87 FFAR4 (0.33) GABRA1GABRB2FFAR4FPR2PPARD
SCHEMBL11933187 0.86 FFAR4 (0.38) GABRA1GABRB2FFAR4FPR2PPARD
SCHEMBL11933306 0.86 NAAA (0.46) NAAAFFAR4FPR2FGFR1FGFR2

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 NAAA 4102/4885GABRA1 3775/4885GABRB2 4584/4885

“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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