SCHEMBL4809643

SCHEMBL4809643

CC1(C)CC(=O)C(=O)C(C)(C)N1OC1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL646063 0.80 GAA (0.36) ALDH1A1TSHRNPSR1
SCHEMBL10446177 0.71 KMT2A (0.35) ALDH1A1
SCHEMBL1232635 0.69 ACHE (0.32) ALDH1A1
SCHEMBL8838250 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4457058 0.68 KDM4E (0.30) ALDH1A1
SCHEMBL10449143 0.66
SCHEMBL9590313 0.66 LMNA (0.31)
SCHEMBL9743854 0.65
SCHEMBL13865253 0.65
SCHEMBL10151274 0.64

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-7390904-B2 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-24 US disclosed
EP-1644329-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES Ciba SC Holding AG (CH) 2006-04-12 EP disclosed
US-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
WO-2005005388-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 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-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines HAO2, SOD1, PPOX ALDH1A1 1162/4885TSHR 1967/4885NPSR1 1899/4885

“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.