SCHEMBL10302004

SCHEMBL10302004

CCOc1ccc(-c2ccc(CCc3ccc(CC)cc3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
NAAA Q02083 1/20 0.36
S1PR1 P21453 3/20 0.35
FGFR2 P21802 2/20 0.35
S1PR3 Q99500 2/20 0.35
FGFR1 P11362 1/20 0.35
CALM1 P0DP23 1/20 0.34
GABRA1 P14867 4/20 0.33
GABRB2 P47870 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FFAR1 O14842 2/20 0.33
RXRG P48443 1/20 0.32
PTGES O14684 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10302002 0.91 S1PR1 (0.41) FFAR4NAAAS1PR1FGFR2S1PR3
SCHEMBL10301999 0.91 GABRA1 (0.42) FFAR4NAAAS1PR1FGFR2S1PR3
SCHEMBL10302026 0.91 FFAR4 (0.41) FFAR4NAAAS1PR1FGFR2S1PR3
SCHEMBL10302027 0.90 GABRA1 (0.43) FFAR4NAAAS1PR1FGFR2S1PR3
SCHEMBL10302003 0.90 KDM4E (0.36) FFAR4GABRA1GABRB2
SCHEMBL10302006 0.89 FFAR4 (0.39) FFAR4NAAAS1PR1FGFR2S1PR3
SCHEMBL12740090 0.88 FFAR4 (0.39) FFAR4S1PR1FGFR2S1PR3FGFR1
SCHEMBL12717240 0.88 FFAR4 (0.39) FFAR4S1PR1FGFR2S1PR3FGFR1
SCHEMBL10301998 0.88 RARB (0.44) FFAR4S1PR1GABRA1GABRB2
SCHEMBL8932329 0.88 NAAA (0.39) FFAR4NAAAS1PR1FGFR2S1PR3

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
EP-2266941-B1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-03-05 EP disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 EP 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 FFAR4 1669/4885NAAA 3989/4885S1PR1 1915/4885

“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.