SCHEMBL424497

SCHEMBL424497

CCCCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CCc4ccc(OCC)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL14922539 0.97 SCN9A (0.34) SCN9ACNR1CNR2L3MBTL1PPARG
SCHEMBL14922525 0.96 CTSL (0.33) SCN9A
SCHEMBL14922511 0.94 SCN9A (0.35) SCN9ACNR1CNR2PPARGPPARD
SCHEMBL14922644 0.94 CTSL (0.34) SCN9A
SCHEMBL15381750 0.93 CTSL (0.34) SCN9ACNR1CNR2
SCHEMBL15381673 0.93 CTSL (0.34) SCN9ACNR1CNR2
SCHEMBL14922610 0.91 HTR2C (0.33) L3MBTL1
SCHEMBL14922579 0.91 SCN9A (0.35) SCN9AL3MBTL1PPARGPPARD
SCHEMBL14922506 0.91 CTSL (0.33)
SCHEMBL14766310 0.91 SCN9A (0.30) SCN9A

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 2679/4885CNR1 1323/4885CNR2 1262/4885

“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.