SCHEMBL5496046

SCHEMBL5496046

CCC(O[N+](=O)[O-])C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GSR P00390 1/20 0.34

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
SCHEMBL2011076 0.81 SMN1; SMN2 (0.37) ALDH1A1GSR
SCHEMBL2802345 0.79 CA1 (0.32) ALDH1A1GSR
Methane SCHEMBL2010336 0.79 SMN1; SMN2 (0.36) ALDH1A1GSR
Ethane SCHEMBL2015992 0.79 SMN1; SMN2 (0.36) ALDH1A1GSR
SCHEMBL2010335 0.78 CA1 (0.37) ALDH1A1GSR
SCHEMBL2015989 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2014543 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10569376 0.71 BCL9 (0.50) ALDH1A1
SCHEMBL6053504 0.70
SCHEMBL8686124 0.70

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-7166605-B2 Probucol nitro-derivatives NICOX, S.A. (FR) 2007-01-23 US disclosed
US-20060167003-A1 Probucol derivatives NICOX S.A. (FR) 2006-07-27 US disclosed
EP-1521740-A2 PROBUCOL DERIVATIVES Nicox S.A. (FR) 2005-04-13 EP disclosed
WO-2003080568-A2 PROBUCOL DERIVATIVES NICOX S.A. (FR) 2003-10-02 WO 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-20060167003-A1 Probucol derivatives PNLIP, APOB, LIPC ALDH1A1 511/4885GSR 807/4885

“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.