SCHEMBL11894574

SCHEMBL11894574

CCOc1ccc(-c2ccc(CCC=CC3CCC(O)CC3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.40
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
MAPT P10636 1/20 0.31
SSTR5 P35346 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
SCHEMBL11894577 1.00 FFAR4 (0.40) FFAR4S1PR1S1PR3GRIN1GRIN2B
SCHEMBL17522275 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3
SCHEMBL17522271 0.90 FFAR4 (0.39) FFAR4
SCHEMBL11953527 0.90 FFAR4 (0.39) FFAR4
SCHEMBL17522327 0.88 FFAR4 (0.37) FFAR4
SCHEMBL17522328 0.88 FFAR4 (0.37) FFAR4
SCHEMBL17522220 0.88 FFAR4 (0.39) FFAR4S1PR1S1PR3GRIN1GRIN2B
SCHEMBL11895542 0.87 FFAR4 (0.40) FFAR4GRIN1GRIN2BMAPTSSTR5
SCHEMBL11895544 0.87 FFAR4 (0.40) FFAR4GRIN1GRIN2BMAPTSSTR5
SCHEMBL17522325 0.87 FFAR4 (0.37) FFAR4GRIN1GRIN2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 FFAR4 1472/4885S1PR1 2923/4885S1PR3 1200/4885

“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.