SCHEMBL17487552

SCHEMBL17487552

CCCc1ccc(-c2ccc(OCCCc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
S1PR1 P21453 4/20 0.37
MPL P40238 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
S1PR3 Q99500 2/20 0.35
BIRC5 O15392 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL17487370 0.87 FFAR4 (0.40) RARBMPLGABRA1GABRB2SMN1; SMN2
SCHEMBL15119768 0.87 CNR2 (0.40) RARBS1PR1MPLSMN1; SMN2GLA
SCHEMBL19753782 0.87 RARB (0.41) RARBS1PR1MPLGABRA1GABRB2
SCHEMBL20346165 0.85 S1PR1 (0.40) RARBS1PR1MPLSMN1; SMN2GLA
SCHEMBL9494631 0.85 S1PR1 (0.42) RARBS1PR1MPLSMN1; SMN2GLA
SCHEMBL9563933 0.85 S1PR1 (0.42) RARBS1PR1MPLSMN1; SMN2GLA
SCHEMBL17490327 0.85 FFAR4 (0.41) RARBS1PR1GABRA1GABRB2S1PR3
SCHEMBL9563808 0.85 CSNK2A1 (0.38) S1PR1MPLGABRA1GABRB2TP53
SCHEMBL17791136 0.85 RARB (0.44) RARBS1PR1MPLGABRA1GABRB2
SCHEMBL9494123 0.84 RARB (0.42) RARBS1PR1MPLRARARARG

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 3736/4885S1PR1 1613/4885MPL 4784/4885

“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.