SCHEMBL17487580

SCHEMBL17487580

CCCc1ccc2cc(-c3ccc(CCc4cc(F)c(F)c(F)c4)c(F)c3F)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MPL P40238 3/20 0.32
CHKA P35790 1/20 0.32
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

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
SCHEMBL17487653 0.96 ALOX5 (0.39) ALOX5CTSLCTSSCTSKFFAR4
SCHEMBL17487955 0.91 ESR1 (0.37) ALOX5CTSLCTSSCTSKFFAR4
SCHEMBL17487958 0.91 HRH3 (0.37) ALOX5CTSLCTSSCTSKFFAR4
SCHEMBL17487687 0.91 RARB (0.37) ALOX5CTSLCTSSCTSKGABRA1
SCHEMBL17487685 0.90 ALOX5 (0.38) ALOX5CTSLCTSSCTSKGABRA1
SCHEMBL17487670 0.90 RARB (0.39) ALOX5CTSLCTSSCTSKGABRA1
SCHEMBL17487368 0.89 RARB (0.38) ALOX5CTSLCTSSCTSKGABRA1
SCHEMBL17487893 0.88 ALOX5 (0.36) ALOX5CTSLCTSSCTSKGABRA1
SCHEMBL17487674 0.88 RARB (0.37) ALOX5CTSLCTSSCTSKCNR1
SCHEMBL17487413 0.88 CTSL (0.39) ALOX5CTSLCTSSCTSKCNR1

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 1039/4885CTSL 2714/4885CTSS 2644/4885

“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.