SCHEMBL17487381

SCHEMBL17487381

CCCc1ccc(-c2ccc(CCC(F)(F)Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 4/20 0.38
GRM2 Q14416 1/20 0.37
RARB P10826 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL17487920 0.96 S1PR1 (0.40) S1PR1S1PR3GRM2RARBALOX5AP
SCHEMBL17487523 0.93 S1PR1 (0.35) S1PR1S1PR3GRM2RARB
SCHEMBL17487522 0.91 S1PR1 (0.36) S1PR1S1PR3GRM2RARBFFAR4
SCHEMBL17487633 0.90 ALOX5AP (0.34) S1PR1S1PR3GRM2ALOX5APFEN1
SCHEMBL17487881 0.89 GRM2 (0.38) S1PR1S1PR3GRM2RARBALOX5AP
SCHEMBL17487763 0.89 S1PR1 (0.33) S1PR1S1PR3RARB
SCHEMBL17487612 0.88 S1PR1 (0.37) S1PR1S1PR3GRM2RARB
SCHEMBL17487929 0.88 CTSL (0.33) GRM2ALOX5APFEN1
SCHEMBL17487520 0.87 FFAR4 (0.37) S1PR1S1PR3GRM2FFAR4
SCHEMBL17487613 0.86 S1PR1 (0.38) S1PR1S1PR3GRM2RARBFFAR4

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 S1PR1 1613/4885S1PR3 1279/4885GRM2 3737/4885

“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.