SCHEMBL17487375

SCHEMBL17487375

CCCc1ccc(-c2ccc(OCC(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 3/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
RARB P10826 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
MPL P40238 1/20 0.31
GRM2 Q14416 1/20 0.31
ALOX5 P09917 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL17487778 0.95 S1PR1 (0.36) S1PR1S1PR3NPC1TP53PKM
SCHEMBL17487867 0.94 S1PR1 (0.37) S1PR1S1PR3NPC1TP53PKM
SCHEMBL17487539 0.93 S1PR1 (0.35) S1PR1S1PR3NPC1TP53PKM
SCHEMBL17487863 0.91 S1PR1 (0.39) S1PR1S1PR3NPC1TP53PKM
SCHEMBL15236097 0.89 GABRA1 (0.36) S1PR1S1PR3RAB9ADGAT1GABRA1
SCHEMBL15236047 0.88 S1PR1 (0.41) S1PR1S1PR3NPC1TP53PKM
SCHEMBL17487586 0.88 S1PR1 (0.32) S1PR1S1PR3NPC1TP53PKM
SCHEMBL15234877 0.88 FFAR4 (0.33) S1PR1S1PR3DGAT1GABRA1GABRB2
SCHEMBL17490434 0.87 FFAR1 (0.37) NPC1RAB9ADGAT1FFAR4
SCHEMBL15235963 0.87 FFAR4 (0.36) S1PR1S1PR3DGAT1GABRA1GABRB2

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 1279/4885NPC1 952/4885

“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.