SCHEMBL17487563

SCHEMBL17487563

CCCc1ccc(CCc2ccc(CCc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CA2 P00918 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 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
TYR P14679 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MGLL Q99685 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
SCHEMBL17487407 0.93 CTSL (0.36) PTGS1PTGS2TYR
SCHEMBL17487368 0.89 RARB (0.38) CNR1CNR2NPC1RAB9ATP53
SCHEMBL17487687 0.88 RARB (0.37) CNR1CNR2NPC1RAB9ATP53
SCHEMBL17487674 0.88 RARB (0.37) CNR1CNR2NPC1RAB9ATP53
SCHEMBL17487413 0.88 CTSL (0.39) LPLLIPGCNR1CNR2NPC1
SCHEMBL20346155 0.87 LPL (0.42) LPLLIPGCNR1CNR2CA2
SCHEMBL17487642 0.86 CTSL (0.33) TYR
SCHEMBL17487431 0.86 CTSL (0.45) CNR1CNR2TYR
SCHEMBL17487893 0.86 ALOX5 (0.36) CNR1CNR2HTR2AHTR2CNPC1
SCHEMBL17487557 0.85 CTSL (0.36) LPLLIPGCNR1CNR2HTR2A

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 LPL 1164/4885LIPG 3057/4885PTGS1 3938/4885

“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.