SCHEMBL10301566

SCHEMBL10301566

CCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.36
S1PR1 P21453 6/20 0.35
S1PR3 Q99500 3/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHKA P35790 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
RET P07949 1/20 0.33
CALM1 P0DP23 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRB2 P47870 4/20 0.32
S1PR5 Q9H228 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
SCHEMBL1243473 0.93 FFAR4 (0.40) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12740103 0.91 FFAR4 (0.40) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12735568 0.91 FFAR4 (0.40) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL10301926 0.90 CNR2 (0.37) S1PR1S1PR3CTSLCTSSCTSK
SCHEMBL10301920 0.90 CTSL (0.44) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12740092 0.90 CTSL (0.41) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12740090 0.90 FFAR4 (0.39) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12735553 0.90 CTSL (0.41) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL10301919 0.90 FFAR4 (0.40) FFAR4S1PR1S1PR3CTSLCTSS
SCHEMBL12717240 0.90 FFAR4 (0.39) FFAR4S1PR1S1PR3CTSLCTSS

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 1669/4885S1PR1 1915/4885S1PR3 1056/4885

“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.