SCHEMBL11933490

SCHEMBL11933490

CCCCCCOc1ccc(OC(=O)c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
SCN9A Q15858 1/20 0.37
CYP2C9 P11712 1/20 0.35
PTPN1 P18031 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPN11 Q06124 3/20 0.35
THRA P10827 3/20 0.34

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
SCHEMBL11933526 1.00 THRB (0.38) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL11933524 0.99 SCN9A (0.37) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL11933488 0.99 SCN9A (0.37) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL11933523 0.96 SCN9A (0.40) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL11933487 0.96 SCN9A (0.40) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL18175667 0.94 SCN9A (0.41) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL18175634 0.93 THRB (0.39) THRBCNR1CNR2SCN9ACYP2C9
SCHEMBL11933521 0.93 SCN9A (0.34) CNR1CNR2SCN9ACYP2C9LMNA
SCHEMBL11933486 0.93 SCN9A (0.34) CNR1CNR2SCN9ACYP2C9LMNA
SCHEMBL18175653 0.93 THRB (0.39) THRBCNR1CNR2SCN9ACYP2C9

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 THRB 725/4885CNR1 254/4885CNR2 474/4885

“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.