SCHEMBL11933375

SCHEMBL11933375

C/C=C/CCc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(OCCCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 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
SCHEMBL11933233 0.93 HPGD (0.37) CTSLCTSSCTSKHPGDFFAR4
SCHEMBL12197152 0.91 HPGD (0.36) CTSLCTSSCTSKHPGD
SCHEMBL12197319 0.90 HPGD (0.39) HPGD
SCHEMBL11939265 0.88 MEN1 (0.31) HPGD
SCHEMBL15381542 0.88 SCN9A (0.39) SCN9AHPGDALOX5APFEN1CNR1
SCHEMBL15381610 0.88 SCN9A (0.39) SCN9AHPGDALOX5APFEN1CNR1
SCHEMBL15381710 0.86 HPGD (0.40) SCN9AHPGDALOX5APFEN1CNR1
SCHEMBL15381795 0.86 HPGD (0.40) SCN9AHPGDALOX5APFEN1CNR1
SCHEMBL11933401 0.86 SCN9A (0.33) SCN9A
SCHEMBL12197350 0.85 CTSL (0.34) CTSLCTSSCTSKHPGDFFAR4

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 3 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-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 CTSL 1542/4885CTSS 2038/4885CTSK 1522/4885

“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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