SCHEMBL12739867

SCHEMBL12739867

CCCCCOc1ccc(CCC2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 2/20 0.35
MAPT P10636 2/20 0.35
RAD52 P43351 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR2 O95136 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
RARB P10826 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
FFAR4 Q5NUL3 4/20 0.32
PPARG P37231 3/20 0.32
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL12739874 0.99 S1PR1 (0.36) S1PR1S1PR3MAPTRAD52MEN1
SCHEMBL12739870 0.99 S1PR1 (0.36) S1PR1S1PR3MAPTRAD52MEN1
SCHEMBL12739872 0.99 S1PR1 (0.36) S1PR1S1PR3MAPTRAD52MEN1
SCHEMBL12739865 0.97 S1PR1 (0.37) S1PR1S1PR3MAPTRAD52MEN1
SCHEMBL14766425 0.91 S1PR1 (0.37) S1PR1S1PR3S1PR2LPAR2RARB
SCHEMBL12739863 0.91 FFAR4 (0.38) ALOX5APFEN1FFAR4FPR2
SCHEMBL14766851 0.89 S1PR1 (0.36) S1PR1S1PR3RARBFFAR4PPARG
SCHEMBL12739880 0.89 ALOX5AP (0.32) ALOX5APFEN1FFAR4
SCHEMBL12739854 0.88 FFAR4 (0.38) S1PR1S1PR3RARBFFAR4
SCHEMBL12739876 0.88 ALOX5AP (0.32) ALOX5APFEN1FFAR4

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 757/4885MAPT 1075/4885

“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.