SCHEMBL18329655

SCHEMBL18329655

CC1(C)CC(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(C)(C)N1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Edetic Acid SCHEMBL1233036 0.89 KDM4E (0.40) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL15163476 0.89 KDM4E (0.40) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL1232066 0.89 KDM4E (0.40) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL2831275 0.89 KDM4E (0.40) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL986952 0.89 KDM4E (0.40) KDM4EGAATDP1EYA2APP
SCHEMBL6763522 0.87 GAA (0.39) KDM4EGAAKMT2AMAOBMAPK8
Pentetic Acid SCHEMBL987211 0.87 KDM4E (0.42) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL2861164 0.84 KDM4E (0.37) KDM4EGAATDP1EYA2APP
Nitrilotriacetic Acid SCHEMBL987466 0.82 GAA (0.42) KDM4EGAATDP1EYA2APP
Edetic Acid SCHEMBL1231022 0.80 TDP1 (0.47) KDM4EGAATDP1EYA2APP

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
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
WO-2016202883-A1 COMPOSITION FOR IMMEDIATELY ENDING RADICAL POLYMERIZATION BASF SE (DE) 2016-12-22 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 KDM4E 2885/4885GAA 4489/4885TDP1 1744/4885
US-20180171035-A1 COMPOSITION FOR THE IMMEDIATE STOPPING OF A FREE-RADICAL POLYMERIZATION FASTKD5, TYK2, FASTKD1 KDM4E 2885/4885GAA 4489/4885TDP1 1744/4885

“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.