SCHEMBL12735673

SCHEMBL12735673

C=CCCCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
FFAR4 Q5NUL3 3/20 0.34
CNR2 P34972 2/20 0.34
FFAR1 O14842 2/20 0.33
CNR1 P21554 1/20 0.32
CYP17A1 P05093 1/20 0.31
GABRA1 P14867 4/20 0.31
GABRB2 P47870 4/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.31
MET P08581 1/20 0.31
NAAA Q02083 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
SCHEMBL12735667 0.95 S1PR1 (0.35) S1PR1FFAR4CNR2FFAR1CNR1
SCHEMBL12735607 0.92 CNR2 (0.35) FFAR4CNR2FFAR1CNR1GABRA1
SCHEMBL12740120 0.92 CNR2 (0.35) FFAR4CNR2FFAR1CNR1GABRA1
SCHEMBL12740155 0.90 FFAR4 (0.38) S1PR1FFAR4CNR2FFAR1CNR1
SCHEMBL14766003 0.90 S1PR1 (0.43) S1PR1FFAR4CNR2FFAR1CNR1
SCHEMBL12738916 0.90 GRM2 (0.35) S1PR1CNR2CNR1CYP17A1
SCHEMBL12735665 0.89 FFAR4 (0.36) S1PR1FFAR4CNR2FFAR1CYP17A1
SCHEMBL12735656 0.88 S1PR1 (0.47) S1PR1FFAR4CNR2FFAR1CNR1
SCHEMBL10301959 0.88 S1PR1 (0.37) S1PR1CNR2CNR1CYP17A1GABRA1
SCHEMBL12740118 0.88 FFAR4 (0.35) FFAR4CNR2FFAR1CNR1GABRA1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 S1PR1 1190/4885FFAR4 546/4885CNR2 686/4885

“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.