SCHEMBL17487679

SCHEMBL17487679

CCCc1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHKA P35790 1/20 0.36
ALOX5 P09917 2/20 0.34
RARB P10826 1/20 0.34
MPL P40238 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
VDR P11473 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
SCHEMBL17487585 0.95 RARB (0.39) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487804 0.94 CTSL (0.40) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487368 0.94 RARB (0.38) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487899 0.93 CTSL (0.36) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487674 0.93 RARB (0.37) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487687 0.93 RARB (0.37) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487597 0.93 CTSL (0.37) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487431 0.92 CTSL (0.45) CTSLCTSSCTSKALOX5
SCHEMBL17487670 0.92 RARB (0.39) CTSLCTSSCTSKCHKAALOX5
SCHEMBL17487610 0.90 RARB (0.45) CTSLCTSSCTSKCHKAALOX5

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 CTSL 2714/4885CTSS 2644/4885CTSK 2692/4885

“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.