SCHEMBL3175458

SCHEMBL3175458

CC(C)c1cccc(C(C)C)c1OC(=O)CC(C)(C)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
Hydrochloric Acid SCHEMBL3165912 0.84 SCN5A (0.44) SCN5ASCN9ASCN10A
SCHEMBL9754189 0.80 SCN5A (0.47) SCN5ASCN9ASCN10A
SCHEMBL3166761 0.78
SCHEMBL4126064 0.78 SCN5A (0.46) SCN5ASCN9ASCN10A
SCHEMBL3165979 0.78 SCN5A (0.37) SCN5ASCN9ASCN10A
SCHEMBL3167552 0.78 SCN5A (0.37) SCN5ASCN9ASCN10A
SCHEMBL3161034 0.77 LTA4H (0.35)
SCHEMBL16330807 0.76 SCN5A (0.52) SCN5ASCN9ASCN10A
SCHEMBL3167305 0.76 L3MBTL1 (0.43)
SCHEMBL3166633 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645792-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2010-01-12 US disclosed
US-20090005352-A1 Prodrugs of Propofol, Compositions and Uses Thereof XENOPORT, INC. (US) 2009-01-01 US disclosed
US-7241807-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2007-07-10 US disclosed
US-20060041011-A1 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-02-23 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 (2 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-20060041011-A1 Prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP3A4 SCN5A 151/4885SCN9A 440/4885SCN10A 563/4885
US-20090005352-A1 Prodrugs of Propofol, Compositions and Uses Thereof CYP2C19, CYP3A5, CYP3A4 SCN5A 151/4885SCN9A 440/4885SCN10A 563/4885

“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.