SCHEMBL11933122

SCHEMBL11933122

CCCCOc1ccc(-c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ ALOX5AP P20292 6/20 0.35
▸ FEN1 P39748 6/20 0.35
▸ FPR2 P25090 3/20 0.34
▸ HTR1D P28221 2/20 0.33
▸ HTR1B P28222 2/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ IKBKB O14920 1/20 0.31

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
SCHEMBL12196592 0.96 SCN9A (0.34) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL12196679 0.95 SCN9A (0.38) SCN9AALOX5APFEN1HTR1DHTR1B
SCHEMBL10301646 0.95 SCN9A (0.38) SCN9AALOX5APFEN1HTR1DHTR1B
SCHEMBL12196829 0.94 OPRL1 (0.33) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL15381627 0.94 SCN9A (0.39) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL11933328 0.93 FEN1 (0.37) SCN9AALOX5APFEN1
SCHEMBL11933180 0.93 FEN1 (0.37) SCN9AALOX5APFEN1
SCHEMBL10301648 0.91 SCN9A (0.35) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL15381582 0.91 SCN9A (0.38) SCN9AALOX5APFEN1FPR2HTR1D
SCHEMBL12197116 0.90 GPR119 (0.34) SCN9AALOX5APFEN1

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 2717/4885ALOX5AP 903/4885FEN1 1475/4885

“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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