SCHEMBL17487802

SCHEMBL17487802

CCCc1ccc(-c2ccc(-c3cc(F)c(CCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
MPL P40238 6/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MCL1 Q07820 1/20 0.31
ACVRL1 P37023 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP21A2 P08686 1/20 0.31
CYP11B1 P15538 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
SCHEMBL17487799 0.91 RARB (0.42) RARBMPLNPC1RAB9ARARA
SCHEMBL17487588 0.86 CTSL (0.37)
SCHEMBL17487801 0.86 RARB (0.41) RARBMPLNPC1RAB9ARARA
SCHEMBL17487785 0.85 RARB (0.34) RARBMPLNPC1RAB9ARARA
SCHEMBL17487800 0.85 ALOX5 (0.37) RARBMPLNPC1RAB9ARARA
SCHEMBL17487368 0.84 RARB (0.38) RARBMPLNPC1RAB9ARARA
SCHEMBL17487900 0.84 CTSL (0.34) RARBALOX5
SCHEMBL17487674 0.83 RARB (0.37) RARBMPLNPC1RAB9ARARA
SCHEMBL17487687 0.83 RARB (0.37) RARBMPLNPC1RAB9ARARA
SCHEMBL17487585 0.83 RARB (0.39) RARBMPLNPC1RAB9ARARA

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 3736/4885MPL 4784/4885NPC1 952/4885

“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.