SCHEMBL10302002

SCHEMBL10302002

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 4/20 0.41
FFAR4 Q5NUL3 3/20 0.40
HTT P42858 1/20 0.36
NAAA Q02083 1/20 0.35
RET P07949 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB2 P47870 4/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
FFAR1 O14842 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL10302004 0.91 FFAR4 (0.38) S1PR1S1PR3FFAR4NAAAGABRA1
SCHEMBL10301999 0.90 GABRA1 (0.42) S1PR1S1PR3FFAR4NAAAGABRA1
SCHEMBL10302001 0.89 FFAR4 (0.37) FFAR4GABRA1GABRB2CYP4F2CYP4A11
SCHEMBL10302027 0.89 GABRA1 (0.43) S1PR1S1PR3FFAR4NAAAGABRA1
SCHEMBL12740102 0.89 S1PR1 (0.40) S1PR1S1PR3FFAR4RETGABRA1
SCHEMBL12735566 0.89 S1PR1 (0.40) S1PR1S1PR3FFAR4RETGABRA1
SCHEMBL10302529 0.88 FFAR1 (0.40) S1PR1S1PR3FFAR4NAAAFFAR1
SCHEMBL10302006 0.88 FFAR4 (0.39) S1PR1S1PR3FFAR4NAAAGABRA1
SCHEMBL10302026 0.88 FFAR4 (0.41) S1PR1S1PR3FFAR4NAAARET
SCHEMBL10301998 0.87 RARB (0.44) S1PR1FFAR4HTTGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 S1PR1 1915/4885S1PR3 1056/4885FFAR4 1669/4885

“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.