SCHEMBL6237145

SCHEMBL6237145

CC1(C)CC(NC(=O)CCC(=O)O)CC(C)(C)N1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 6/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 2/20 0.42
MAPK8 P45983 1/20 0.40
PHF8 Q9UPP1 5/20 0.36
KDM2A Q9Y2K7 5/20 0.36
KDM5C P41229 3/20 0.36
EGLN1 Q9GZT9 2/20 0.36
EPHX2 P34913 2/20 0.36
KDM6B O15054 1/20 0.35
FOLH1 Q04609 1/20 0.35
MAOB P27338 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
EPHX1 P07099 2/20 0.33

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
SCHEMBL18329658 0.92 SMN1; SMN2 (0.44) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL30071045 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EGAAKMT2APHF8
SCHEMBL316348 0.86 SMN1; SMN2 (0.48) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL7914274 0.85 GAA (0.43) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL4889822 0.85 GAA (0.46) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL12352252 0.84 GAA (0.50) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL24850469 0.83 GAA (0.45) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL23783503 0.83 GAA (0.44) ALDH1A1KDM4EGAAKMT2AMAPK8
SCHEMBL22585065 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2APHF8
SCHEMBL12846025 0.82 GAA (0.43) ALDH1A1KDM4EGAAKMT2AMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310819-B1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2019-06-12 EP disclosed
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
WO-2005003759-A1 A METHOD FOR ANALYSIS OF A BEVERAGE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-01-13 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 (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 1387/4885KDM4E 2885/4885GAA 4489/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 ALDH1A1 1387/4885KDM4E 2885/4885GAA 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.