SCHEMBL12733889

SCHEMBL12733889

CCCCCCCOc1ccc(C2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.35
FEN1 P39748 6/20 0.35
FPR2 P25090 3/20 0.35
PTPN11 Q06124 6/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
SCN9A Q15858 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PLA2G2D Q9UNK4 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
SCHEMBL12733888 1.00 ALOX5AP (0.35) ALOX5APFEN1FPR2PTPN11ALDH1A1
SCHEMBL12733886 0.99 ALOX5AP (0.36) ALOX5APFEN1FPR2PTPN11ALDH1A1
SCHEMBL12733882 0.95 ALOX5AP (0.37) ALOX5APFEN1FPR2SCN9A
SCHEMBL12740724 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12736024 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12736028 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12740721 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12740722 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12736021 0.94 FEN1 (0.35) ALOX5APFEN1FPR2PTPN11CNR1
SCHEMBL12736016 0.93 FEN1 (0.35) ALOX5APFEN1FPR2

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 ALOX5AP 1673/4885FEN1 3340/4885FPR2 589/4885

“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.