SCHEMBL12735490

SCHEMBL12735490

CCCCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(C)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
RARB P10826 2/20 0.39
FFAR4 Q5NUL3 4/20 0.39
PTPN11 Q06124 2/20 0.37
CNR2 P34972 8/20 0.34
CNR1 P21554 3/20 0.34
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 1/20 0.33
RARA P10276 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
SCHEMBL12735495 0.99 S1PR1 (0.42) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12735506 0.99 S1PR1 (0.42) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12735500 0.99 S1PR1 (0.42) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12735481 0.98 S1PR1 (0.43) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12740058 0.94 FFAR4 (0.39) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12740062 0.93 FFAR4 (0.39) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12740064 0.93 FFAR4 (0.39) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12740066 0.93 FFAR4 (0.39) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12740057 0.92 FFAR4 (0.40) S1PR1S1PR3RARBFFAR4PTPN11
SCHEMBL12735479 0.91 FFAR4 (0.39) S1PR1S1PR3FFAR4NR1H4FFAR1

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 757/4885RARB 2705/4885

“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.