SCHEMBL17487520

SCHEMBL17487520

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.37
GRM2 Q14416 1/20 0.36
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 3/20 0.34
CTSK P43235 3/20 0.33
NAAA Q02083 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
ALOX5 P09917 1/20 0.32
CHRM5 P08912 1/20 0.32
SLC7A5 Q01650 1/20 0.31
CTSS P25774 2/20 0.31
CTSL P07711 1/20 0.31
FFAR1 O14842 2/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
F2RL3 Q96RI0 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
SCHEMBL17487881 0.96 GRM2 (0.38) FFAR4GRM2S1PR1S1PR3CTSK
SCHEMBL17487616 0.96 FFAR4 (0.37) FFAR4GRM2S1PR1S1PR3CTSK
SCHEMBL17487522 0.90 S1PR1 (0.36) FFAR4GRM2S1PR1S1PR3CTSK
SCHEMBL17487523 0.87 S1PR1 (0.35) GRM2S1PR1S1PR3CTSKGABRA1
SCHEMBL17487415 0.87 SLC7A5 (0.37) CTSKNAAASLC7A5CTSSCTSL
SCHEMBL17487381 0.87 S1PR1 (0.38) FFAR4GRM2S1PR1S1PR3
SCHEMBL17487789 0.86 CTSK (0.39) FFAR4GRM2S1PR1CTSKNAAA
SCHEMBL17487613 0.85 S1PR1 (0.38) FFAR4GRM2S1PR1S1PR3CTSK
SCHEMBL17487418 0.85 CTSK (0.36) FFAR4CTSKNAAAGABRA1GABRB2
SCHEMBL17487622 0.85 CTSK (0.36) FFAR4GRM2S1PR1S1PR3CTSK

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 3737/4885S1PR1 1613/4885

“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.