SCHEMBL4564930

SCHEMBL4564930

CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)[C@@H](CCC(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL14345486 1.00 TDP1 (0.31) TDP1EYA2APPACEMEN1
SCHEMBL5032518 1.00 TDP1 (0.31) TDP1EYA2APPACEMEN1
SCHEMBL12202775 0.95
SCHEMBL12202789 0.95
SCHEMBL3498361 0.94 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL3844876 0.90 EPOR (0.33) TDP1EYA2APPACEMEN1
SCHEMBL12694735 0.88 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL8058792 0.86 CYP2D6 (0.35) TDP1EYA2APPACEKDM4E
SCHEMBL6511739 0.86 CYP2D6 (0.35) TDP1EYA2APPACEKDM4E
SCHEMBL5033034 0.83 MEN1 (0.34) MEN1GAAKMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935435-B1 Blood pool agents for nuclear magnetic resonance diagnostics BRACCO IMAGING SPA (IT) 2017-09-06 EP disclosed
US-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MALLINCKRODT LLC (US) 2014-09-18 US disclosed
US-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MALLINCKRODT LLC (US) 2014-09-18 US disclosed
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS INVECTORS S.R.L. (IT) 2014-08-21 US disclosed
US-20090130018-A1 SUPRAMOLECULAR AGGREGATES CONTAINING CHELATING AGENTS AND BIOACTIVE PEPTIDES AS EFFECTIVE AND SELECTIVE DELIVERY TOOLS FOR DRUGS AND CONTRAST AGENTS IN MRI OR NUCLEAR MEDICINE INVECTORS S.R.L. (IT) 2009-05-21 US disclosed
EP-1140209-B1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING SPA (IT) 2008-08-20 EP disclosed
EP-1935435-A2 Blood pool agents for nuclear magnetic resonance diagnostics Bracco Imaging S.p.A (IT) 2008-06-25 EP disclosed
EP-1898958-A2 SUPRAMOLECULAR AGGREGATES CONTAINING CHELATING AGENTS AND BIOACTIVE PEPTIDES AS EFFECTIVE AND SELECTIVE DELIVERY TOOLS FOR DRUGS AND CONTRAST AGENTS IN MRI OR NUCLEAR MEDICINE INBIOS S.r.l. (IT) 2008-03-19 EP disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 US disclosed
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 EP disclosed
US-6461588-B1 VASCULAR SYSTEMS BRACCO IMAGING S.P.A. (IT) 2002-10-08 US disclosed
US-6458337-B1 Diagnostic imaging contrast agent with improved in serum relaxivity DIBRA S.P.A (IT) 2002-10-01 US disclosed
EP-1140209-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.p.A. (IT) 2001-10-10 EP disclosed
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 WO disclosed
WO-2000038738-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.P.A. (IT) 2000-07-06 WO disclosed
EP-0760683-B1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO SPA (IT) 2000-01-05 EP disclosed
US-5649537-A CONJUGATION OF A BILE ACID WITH A CHELATING AGENT AND BI- OR TRIVALENT METALS; IMAGING OF THE HEPTATOBILIARY SYSTEM; NUCLEAR MAGNETIC RESONANCE DIBRA S.P.A. (IT) 1997-07-22 US disclosed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 EP disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 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 (5 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-20140271465-A1 MATRIX METALLOPROTEASE (MMP) TARGETED AGENTS FOR IMAGING AND THERAPY MMP3, MMP26, MMP10 TDP1 2813/4885EYA2 4733/4885APP 2964/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 TDP1 2596/4885EYA2 3335/4885APP 1412/4885
US-20090130018-A1 SUPRAMOLECULAR AGGREGATES CONTAINING CHELATING AGENTS AND BIOACTIVE PEPTIDES AS EFFECTIVE AND SELECTIVE DELIVERY TOOLS FOR DRUGS AND CONTRAST AGENTS IN MRI OR NUCLEAR MEDICINE ORAI1, PICALM, IAPP TDP1 3673/4885EYA2 4796/4885APP 362/4885
US-20140234211-A1 SUPRAMOLECULAR AGGREGATES CONTAINING AMPHIPHILIC MONOMERS, CHELATING AGENTS AND PEPTIDES FOR USE FOR DRUG DELIVERY AND AS CONTRAST AGENTS GRPR, BRS3, BID TDP1 3282/4885EYA2 3979/4885APP 2277/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 TDP1 2478/4885EYA2 3112/4885APP 803/4885

“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.