SCHEMBL11933201

SCHEMBL11933201

CCCc1ccc(COC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NAAA Q02083 1/20 0.35
HTR1A P08908 1/20 0.32
FPR2 P25090 1/20 0.32
ACACB O00763 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL11933300 1.00 CTSL (0.41) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL12197032 0.97 CTSL (0.39) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL10302579 0.97 NAAA (0.37) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL12196934 0.97 NAAA (0.37) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL15381759 0.94 NAAA (0.38) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL15381649 0.94 NAAA (0.38) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL11933119 0.93 CTSS (0.45) CTSLCTSSCTSKNAAAFPR2
SCHEMBL15381531 0.91 NAAA (0.35) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL15381652 0.91 NAAA (0.35) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL14922574 0.91 NAAA (0.36) CTSLCTSSCTSKNAAAHTR1A

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 4 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
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.