SCHEMBL17487575

SCHEMBL17487575

CCCc1ccc(-c2ccc(CCc3ccc4c(F)c(F)c(F)cc4c3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPL P40238 9/20 0.36
ALOX5 P09917 2/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
RARB P10826 1/20 0.33
CHKA P35790 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17487649 0.96 ALOX5 (0.36) MPLALOX5CNR1CNR2CTSL
SCHEMBL17487579 0.88 ALOX5 (0.33) MPLALOX5CNR1CNR2RARB
SCHEMBL17487419 0.87 ALOX5 (0.33) ALOX5CNR1CNR2CTSLCTSS
SCHEMBL17487687 0.85 RARB (0.37) MPLALOX5CNR1CNR2CTSL
SCHEMBL17487574 0.85 CTSL (0.33) MPLALOX5CTSLCTSSCTSK
SCHEMBL17487651 0.84 ALOX5 (0.34) MPLALOX5CNR1CNR2RARB
SCHEMBL17487368 0.83 RARB (0.38) MPLALOX5CNR1CNR2CTSL
SCHEMBL17487655 0.83 CTSL (0.37) ALOX5CTSLCTSSCTSKNPC1
SCHEMBL9486644 0.83 CHKA (0.42) MPLALOX5CNR1CNR2CTSL
SCHEMBL12735686 0.83 RARB (0.41) MPLALOX5CNR1CNR2CTSL

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 MPL 4784/4885ALOX5 1039/4885CNR1 2115/4885

“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.