SCHEMBL12735159

SCHEMBL12735159

CCCCCCOc1ccc(C2CCC(CCc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ THRA P10827 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PLA2G2D Q9UNK4 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ LPAR2 Q9HBW0 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL12735154 1.00 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR5THRB
SCHEMBL12735156 1.00 S1PR1 (0.33) S1PR1S1PR3S1PR4S1PR5THRB
SCHEMBL12735147 0.99 S1PR1 (0.32) S1PR1S1PR3S1PR4S1PR5THRB
SCHEMBL12735144 0.96 FFAR4 (0.34) S1PR1FFAR4KDM1AFPR2PPARD
SCHEMBL14765936 0.90 FFAR4 (0.38) S1PR1FFAR4KDM1APPARD
SCHEMBL12735142 0.90 KDM1A (0.40) FFAR4MAPTALDH1A1GAAKDM1A
SCHEMBL14765940 0.89 FFAR4 (0.37) S1PR1FFAR4KDM1AFPR2PPARD
SCHEMBL12735167 0.88 FFAR4 (0.31) FFAR4KDM1A
SCHEMBL10302091 0.87 THRA (0.35) S1PR1S1PR3S1PR4S1PR5THRB
SCHEMBL12735163 0.87 FFAR4 (0.30) FFAR4

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 1190/4885S1PR3 757/4885S1PR4 1422/4885

“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.

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