SCHEMBL10301960

SCHEMBL10301960

CCOCc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
FFAR1 O14842 1/20 0.33
RXRG P48443 1/20 0.32
NAAA Q02083 2/20 0.32
TAAR1 Q96RJ0 1/20 0.31
S1PR1 P21453 2/20 0.31
CYP17A1 P05093 1/20 0.30
S1PR3 Q99500 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL10302980 0.86 CYP3A4 (0.36) RARBRARARARGCYP17A1
SCHEMBL13654116 0.86 CYP17A1 (0.42) NAAACYP17A1
SCHEMBL12735676 0.86 FFAR4 (0.37) RARBRARARARGFFAR1NAAA
SCHEMBL10301936 0.85 RARB (0.40) RARBRARARARGTAAR1CYP17A1
SCHEMBL10301987 0.85 RARB (0.36) RARBFFAR1RXRGS1PR1S1PR3
SCHEMBL10302230 0.84 RXRG (0.40) FFAR1RXRGNAAACYP17A1
SCHEMBL10301934 0.84 CHKA (0.34) FFAR1
SCHEMBL12823383 0.83 ABCB1 (0.35) RARBRARARARG
SCHEMBL10302485 0.82 MAOB (0.40) RARBRARAFFAR1NAAA
SCHEMBL10301952 0.82 NAAA (0.40) RARBRARARARGFFAR1RXRG

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 RARB 3213/4885RARA 2510/4885RARG 3570/4885

“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.