SCHEMBL11933486

SCHEMBL11933486

CCCOc1ccc(OC(=O)c2ccc(C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
ACACB O00763 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PPARG P37231 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
SCHEMBL11933521 1.00 SCN9A (0.34) SCN9AACACBCNR1CNR2HPGD
SCHEMBL11933487 0.95 SCN9A (0.40) SCN9AACACBCNR1CNR2HPGD
SCHEMBL11933523 0.95 SCN9A (0.40) SCN9AACACBCNR1CNR2HPGD
SCHEMBL11933488 0.94 SCN9A (0.37) SCN9ACNR1CNR2LMNACYP3A4
SCHEMBL11933524 0.94 SCN9A (0.37) SCN9ACNR1CNR2LMNACYP3A4
SCHEMBL11933490 0.93 THRB (0.38) SCN9ACNR1CNR2LMNACYP3A4
SCHEMBL11933526 0.93 THRB (0.38) SCN9ACNR1CNR2LMNACYP3A4
SCHEMBL11933485 0.92 HPGD (0.35) HPGDRXRARXRBRXRGALDH1A1
SCHEMBL15381832 0.92 SCN9A (0.36) SCN9AACACBCNR1CNR2ALDH1A1
SCHEMBL11933520 0.92 HPGD (0.35) HPGDRXRARXRBRXRGALDH1A1

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 2717/4885ACACB 2039/4885CNR1 254/4885

“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.