SCHEMBL12740539

SCHEMBL12740539

CCCCCCOc1ccc(COc2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
FFAR1 O14842 9/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PTPN11 Q06124 2/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
RARB P10826 1/20 0.38
NR5A1 Q13285 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL12740536 1.00 S1PR1 (0.42) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740538 1.00 S1PR1 (0.42) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740535 0.99 FFAR1 (0.41) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740533 0.97 FFAR1 (0.42) S1PR1FFAR1FFAR4PPARDPPARA
SCHEMBL12740987 0.94 FFAR1 (0.42) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740986 0.94 FFAR1 (0.42) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740985 0.94 FFAR1 (0.42) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740983 0.92 FFAR1 (0.43) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL14766898 0.91 FFAR1 (0.43) S1PR1S1PR2S1PR3LPAR2FFAR1
SCHEMBL12740982 0.90 FFAR1 (0.44) S1PR1S1PR3FFAR1FFAR4PPARD

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 1190/4885S1PR2 1141/4885S1PR3 757/4885

“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.