SCHEMBL17487560

SCHEMBL17487560

CCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
NAAA Q02083 1/20 0.39
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
ALOX5 P09917 2/20 0.36
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PDE2A O00408 1/20 0.33
FAAH O00519 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
EPHX2 P34913 1/20 0.33
S1PR1 P21453 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CYP17A1 P05093 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL17487789 0.98 CTSK (0.39) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17487873 0.95 CTSK (0.38) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17487418 0.94 CTSK (0.36) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17487689 0.91 CTSK (0.37) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17487590 0.91 CTSK (0.37) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17487806 0.88 ALOX5 (0.36) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL20010665 0.86 CTSK (0.40) CTSKNAAAALOX5CTSSCTSL
SCHEMBL17487881 0.85 GRM2 (0.38) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17365764 0.85 CTSK (0.35) CTSKNAAAGABRA1GABRB2ALOX5
SCHEMBL17208653 0.84 CTSK (0.39) CTSKNAAAGABRA1GABRB2ALOX5

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 CTSK 2692/4885NAAA 4794/4885GABRA1 4729/4885

“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.