SCHEMBL12739865

SCHEMBL12739865

CCCCOc1ccc(CCC2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.37
FFAR4 Q5NUL3 5/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SCN9A Q15858 1/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 2/20 0.32
FFAR1 O14842 2/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR2 O95136 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL12739867 0.97 S1PR1 (0.35) S1PR1FFAR4GLASMN1; SMN2ALOX5AP
SCHEMBL12739872 0.96 S1PR1 (0.36) S1PR1FFAR4GLASMN1; SMN2ALOX5AP
SCHEMBL12739870 0.96 S1PR1 (0.36) S1PR1FFAR4GLASMN1; SMN2ALOX5AP
SCHEMBL12739874 0.96 S1PR1 (0.36) S1PR1FFAR4GLASMN1; SMN2ALOX5AP
SCHEMBL14766425 0.94 S1PR1 (0.37) S1PR1FFAR4GLASMN1; SMN2SCN9A
SCHEMBL14766851 0.92 S1PR1 (0.36) S1PR1FFAR4GLASMN1; SMN2SCN9A
SCHEMBL12739863 0.92 FFAR4 (0.38) FFAR4ALOX5APFEN1TMEM97SIGMAR1
SCHEMBL14766500 0.90 FFAR4 (0.35) S1PR1FFAR4PPARDFFAR1S1PR3
SCHEMBL12739880 0.90 ALOX5AP (0.32) FFAR4ALOX5APFEN1
SCHEMBL12739876 0.89 ALOX5AP (0.32) FFAR4ALOX5APFEN1

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 546/4885GLA 2692/4885

“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.