SCHEMBL17487514

SCHEMBL17487514

CCCc1ccc(-c2ccc(CCCCc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
MPL P40238 8/20 0.38
CHKA P35790 1/20 0.36
HTR2A P28223 1/20 0.34
ALOX5 P09917 1/20 0.34
HSD11B1 P28845 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL17487610 0.96 RARB (0.45) RARBRARARARGMPLCHKA
SCHEMBL17487368 0.92 RARB (0.38) RARBRARARARGMPLCHKA
SCHEMBL17487420 0.91 RARB (0.49) RARBRARARARGMPLHTR2A
SCHEMBL17487687 0.90 RARB (0.37) RARBRARARARGMPLCHKA
SCHEMBL17487674 0.90 RARB (0.37) RARBRARARARGMPLCHKA
SCHEMBL17487585 0.90 RARB (0.39) RARBRARARARGMPLCHKA
SCHEMBL17487416 0.90 RARB (0.51) RARBRARARARGMPLHTR2A
SCHEMBL17487430 0.90 RARB (0.51) RARBRARARARGMPLHTR2A
SCHEMBL17487427 0.89 RARB (0.44) RARBRARARARGMPLCHKA
SCHEMBL17487804 0.89 CTSL (0.40) RARBRARARARGMPLCHKA

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 RARB 3736/4885RARA 2961/4885RARG 4107/4885

“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.