SCHEMBL421950

SCHEMBL421950

CCCCOc1ccc(C2CCC(C3CCC(O)(c4ccc(OCC)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 1/20 0.30
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30

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
SCHEMBL1243209 0.94 S1PR5 (0.34) SCN9AS1PR5S1PR1MEN1KMT2A
SCHEMBL10091361 0.88
SCHEMBL428860 0.87 SCN9A (0.38) SCN9AMEN1KMT2APPARD
SCHEMBL424103 0.87 SCN9A (0.38) SCN9AMEN1KMT2APPARD
SCHEMBL1574943 0.84 S1PR1 (0.31) S1PR5S1PR1
SCHEMBL2931710 0.84 S1PR5 (0.34) S1PR5S1PR1
SCHEMBL14922537 0.83 L3MBTL1 (0.41) SCN9AMEN1KMT2APPARD
SCHEMBL1242503 0.83 L3MBTL1 (0.41) SCN9AMEN1KMT2APPARD
SCHEMBL14922509 0.82 SCN9A (0.36) SCN9AMEN1KMT2APPARD
SCHEMBL10301572 0.81 PDK2 (0.30)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 SCN9A 2679/4885S1PR5 1900/4885S1PR1 1699/4885

“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.