SCHEMBL10302015

SCHEMBL10302015

CCOCc1ccc(-c2ccc(CCc3ccc(C)cc3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.38
FFAR1 O14842 7/20 0.38
CHKA P35790 1/20 0.33
RARB P10826 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
BACE1 P56817 1/20 0.31
DHODH Q02127 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
SCHEMBL12735610 0.90 FFAR4 (0.38) FFAR4FFAR1CHKABACE1
SCHEMBL12740121 0.90 FFAR4 (0.38) FFAR4FFAR1CHKABACE1
SCHEMBL12740187 0.89 FFAR1 (0.41) FFAR4FFAR1CHKARARBS1PR1
SCHEMBL12735676 0.88 FFAR4 (0.37) FFAR4FFAR1CHKARARBS1PR1
SCHEMBL10303084 0.88 HCAR2 (0.36) FFAR4FFAR1
SCHEMBL12740158 0.88 FFAR4 (0.39) FFAR4FFAR1CHKARARBS1PR1
SCHEMBL13654044 0.87 FFAR1 (0.41) FFAR4FFAR1
SCHEMBL10301990 0.86 FFAR4 (0.39) FFAR4FFAR1CHKARARBHTR2A
SCHEMBL10302540 0.86 FFAR1 (0.40) FFAR4FFAR1BACE1
SCHEMBL12740163 0.85 FFAR4 (0.37) FFAR4FFAR1CHKARARBHTR2A

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 FFAR4 1669/4885FFAR1 681/4885CHKA 1699/4885

“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.