SCHEMBL17487675

SCHEMBL17487675

CCCc1ccc2cc(-c3ccc(CCC(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)cc3)c(F)c(F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.35
GRM2 Q14416 1/20 0.33
ALOX5 P09917 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 3/20 0.32
PDE2A O00408 2/20 0.32
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CHRM5 P08912 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
SCHEMBL17487658 0.88 S1PR1 (0.33) ALOX5GABRA1GABRB2S1PR1S1PR3
SCHEMBL17487520 0.83 FFAR4 (0.37) FFAR4GRM2ALOX5GABRA1GABRB2
SCHEMBL17487616 0.83 FFAR4 (0.37) FFAR4GRM2ALOX5GABRA1GABRB2
SCHEMBL17487881 0.80 GRM2 (0.38) FFAR4GRM2ALOX5GABRA1GABRB2
SCHEMBL17487665 0.79 S1PR1 (0.32) S1PR1S1PR3
SCHEMBL17487806 0.76 ALOX5 (0.36) FFAR4ALOX5GABRA1GABRB2PDE2A
SCHEMBL17369395 0.75 GRM2 (0.38) FFAR4GRM2S1PR1S1PR3PDE2A
SCHEMBL17487860 0.75 S1PR1 (0.39) GRM2ALOX5GABRA1GABRB2S1PR1
SCHEMBL3159958 0.74 NCEH1 (0.36) GRM2ALOX5GABRA1GABRB2S1PR1
SCHEMBL17487522 0.74 S1PR1 (0.36) FFAR4GRM2ALOX5GABRA1GABRB2

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 FFAR4 1903/4885GRM2 3737/4885ALOX5 1039/4885

“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.