SCHEMBL11933487

SCHEMBL11933487

CCCCOc1ccc(OC(=O)c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CRBN Q96SW2 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
GRM2 Q14416 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33

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
SCHEMBL11933523 1.00 SCN9A (0.40) SCN9ACNR1CNR2TSHRLMNA
SCHEMBL11933524 0.97 SCN9A (0.37) SCN9ACNR1CNR2LMNAALOX5AP
SCHEMBL11933488 0.97 SCN9A (0.37) SCN9ACNR1CNR2LMNAALOX5AP
SCHEMBL11933490 0.96 THRB (0.38) SCN9ACNR1CNR2LMNATHRB
SCHEMBL11933526 0.96 THRB (0.38) SCN9ACNR1CNR2LMNATHRB
SCHEMBL11933486 0.95 SCN9A (0.34) SCN9ACNR1CNR2LMNAALOX5AP
SCHEMBL11933521 0.95 SCN9A (0.34) SCN9ACNR1CNR2LMNAALOX5AP
SCHEMBL15381801 0.95 SCN9A (0.43) SCN9ACNR1CNR2TSHRLMNA
SCHEMBL15381831 0.95 SCN9A (0.43) SCN9ACNR1CNR2TSHRLMNA
SCHEMBL15381615 0.93 SCN9A (0.41) SCN9ACNR1CNR2TSHRLMNA

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 SCN9A 2717/4885CNR1 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.