SCHEMBL17487649

SCHEMBL17487649

CCCc1ccc(-c2ccc(CCc3ccc4c(F)c(F)c(F)cc4c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MPL P40238 9/20 0.35
RARB P10826 1/20 0.34
CHKA P35790 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
VDR P11473 1/20 0.31
GRM2 Q14416 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
SCHEMBL17487575 0.96 MPL (0.36) ALOX5CTSLCTSSCTSKMPL
SCHEMBL17487419 0.88 ALOX5 (0.33) ALOX5CTSLCTSSCTSKCNR1
SCHEMBL17487655 0.87 CTSL (0.37) ALOX5CTSLCTSSCTSKVDR
SCHEMBL17487804 0.84 CTSL (0.40) ALOX5CTSLCTSSCTSKMPL
SCHEMBL17487650 0.84 CTSL (0.36) ALOX5CTSLCTSSCTSKMPL
SCHEMBL17487579 0.84 ALOX5 (0.33) ALOX5MPLRARBCNR1CNR2
SCHEMBL17487585 0.83 RARB (0.39) ALOX5CTSLCTSSCTSKMPL
SCHEMBL17487651 0.83 ALOX5 (0.34) ALOX5MPLRARBGABRA1GABRB2
SCHEMBL17487659 0.82 S1PR1 (0.33) CTSLCTSSCTSKMPLGRM2
SCHEMBL17487587 0.82 ALOX5 (0.38) ALOX5CTSLCTSSCTSKMPL

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.