SCHEMBL7260266

SCHEMBL7260266

CC(C)(C)OC(=O)CN(CCNCC(=O)O)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
NR1D1 P20393 2/20 0.32
KDM4E B2RXH2 2/20 0.32
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 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
SCHEMBL6536011 0.90 MAOA (0.36) MAOAMAOBTDP1NR1D1KDM4E
SCHEMBL38656184 0.90 KDM4E (0.36) MAOAMAOBTDP1KDM4EBLM
SCHEMBL7745466 0.88 NR1D1 (0.34) MAOAMAOBTDP1NR1D1MEN1
SCHEMBL8019850 0.87 MAOA (0.35) MAOAMAOBNR1D1CA14CA12
SCHEMBL440219 0.87 MAOA (0.35) MAOAMAOBTDP1NR1D1KDM4E
SCHEMBL13427909 0.87 MAOA (0.36) MAOAMAOBTDP1NR1D1KDM4E
SCHEMBL23130694 0.86 NR1D1 (0.34) MAOAMAOBTDP1NR1D1MEN1
SCHEMBL23130697 0.85 TDP1 (0.34) MAOAMAOBTDP1EYA2APP
SCHEMBL19016239 0.84 MAOA (0.35) MAOAMAOBNR1D1CA14CA12
SCHEMBL6017421 0.82 PAOX (0.38) MAOAMAOBTDP1NR1D1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897967-B1 CHELATES, CHELATING AGENTS, CONJUGATES DERIVED THEREOF AND THEIR USE WANG QI (FI) 2017-06-21 EP disclosed
US-6652834-B2 Tensioactive properties, long lasting activity in the blood pool BRACCO INTERNATIONAL B.V. (NL) 2003-11-25 US disclosed
US-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO INTERNATIONAL B.V. 2002-07-25 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 (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-20020098152-A1 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents SLC39A14, HAMP, PICALM MAOA 4452/4885MAOB 4565/4885TDP1 3409/4885

“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.