SCHEMBL17487803

SCHEMBL17487803

CCCc1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
RARB P10826 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
HTR2A P28223 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
SCHEMBL17487685 0.92 ALOX5 (0.38) ALOX5GABRA1GABRB2RARBCNR1
SCHEMBL17487800 0.92 ALOX5 (0.37) ALOX5GABRA1GABRB2RARBCNR1
SCHEMBL17487893 0.91 ALOX5 (0.36) ALOX5GABRA1GABRB2RARBCNR1
SCHEMBL17487597 0.88 CTSL (0.37) ALOX5GABRA1GABRB2CTSLCTSS
SCHEMBL17487413 0.88 CTSL (0.39) ALOX5RARBCNR1CNR2NPC1
SCHEMBL17487801 0.88 RARB (0.41) ALOX5RARBCNR1CNR2NPC1
SCHEMBL7183840 0.88 CNR1 (0.37) ALOX5GABRA1GABRB2RARBCNR1
SCHEMBL17487580 0.87 ALOX5 (0.38) ALOX5GABRA1GABRB2RARBCNR1
SCHEMBL17487677 0.87 RARB (0.37) ALOX5RARBNPC1TP53PKM
SCHEMBL17487670 0.87 RARB (0.39) ALOX5GABRA1GABRB2RARBCNR1

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 ALOX5 1039/4885GABRA1 4729/4885GABRB2 4850/4885

“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.