SCHEMBL16404585

SCHEMBL16404585

CN(CCO)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.32

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
SCHEMBL5697626 0.84 GAA (0.38) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL9129658 0.82 MAPT (0.31) MAPT
SCHEMBL21135599 0.81 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL24070062 0.79
SCHEMBL24070084 0.79
SCHEMBL18900991 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL1401924 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15GAAL3MBTL1PKM
SCHEMBL25697065 0.75
SCHEMBL25697064 0.75
SCHEMBL25697076 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221255-B2 Composition for the immediate stopping of a free-radical polymerization BASF SE (DE) 2019-03-05 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION BASF SE (DE) 2018-06-21 US disclosed
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 WO disclosed
US-8937086-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-01-20 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-10221255-B2 Composition for the immediate stopping of a free-radical polymerization FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885ALOX15 381/4885GAA 4489/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885ALOX15 381/4885GAA 4489/4885

“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.