SCHEMBL17487622

SCHEMBL17487622

CCCc1ccc(-c2ccc(OCC(F)(F)Oc3ccc(OC(F)(F)F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
FFAR4 Q5NUL3 7/20 0.35
FFAR1 O14842 3/20 0.35
NAAA Q02083 1/20 0.33
GRM2 Q14416 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SLC7A5 Q01650 1/20 0.32
MCHR1 Q99705 1/20 0.31
PDE2A O00408 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CYP2C9 P11712 1/20 0.30
SCN5A Q14524 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
SCHEMBL17487621 0.88 CTSL (0.37) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487616 0.87 FFAR4 (0.37) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487936 0.87 ALOX5AP (0.35) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17365831 0.85 CTSK (0.35) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487520 0.85 FFAR4 (0.37) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487623 0.83 CTSL (0.37) CTSKCTSSCTSLFFAR4NAAA
SCHEMBL17365840 0.83 CTSK (0.35) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17365839 0.82 ALOX5AP (0.38) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487666 0.82 CTSL (0.35) CTSKCTSSCTSLFFAR4FFAR1
SCHEMBL17487881 0.82 GRM2 (0.38) CTSKFFAR4FFAR1NAAAGRM2

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 2692/4885CTSS 2644/4885CTSL 2714/4885

“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.