SCHEMBL17487522

SCHEMBL17487522

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 3/20 0.36
GRM2 Q14416 1/20 0.34
FFAR1 O14842 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
RARB P10826 1/20 0.31
CHKA P35790 1/20 0.31
MPL P40238 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17487613 0.96 S1PR1 (0.38) S1PR1S1PR3GRM2FFAR1ALDH1A1
SCHEMBL17487523 0.91 S1PR1 (0.35) S1PR1S1PR3GRM2CTSLCTSS
SCHEMBL17487381 0.91 S1PR1 (0.38) S1PR1S1PR3GRM2FFAR4RARB
SCHEMBL17487520 0.90 FFAR4 (0.37) S1PR1S1PR3GRM2FFAR1FFAR4
SCHEMBL17487386 0.88 S1PR1 (0.33) S1PR1S1PR3GRM2CTSLCTSS
SCHEMBL17487612 0.87 S1PR1 (0.37) S1PR1S1PR3GRM2CTSLCTSS
SCHEMBL17487939 0.87 ALOX5AP (0.38) S1PR1S1PR3GRM2FFAR1L3MBTL1
SCHEMBL17487920 0.86 S1PR1 (0.40) S1PR1S1PR3GRM2FFAR4CTSL
SCHEMBL17487881 0.86 GRM2 (0.38) S1PR1S1PR3GRM2FFAR1FFAR4
SCHEMBL17487616 0.85 FFAR4 (0.37) S1PR1S1PR3GRM2FFAR1FFAR4

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.