SCHEMBL8058792

SCHEMBL8058792

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 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
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL6511739 1.00 CYP2D6 (0.35) CYP2D6TDP1EYA2APPACE
SCHEMBL5032518 0.86 TDP1 (0.31) TDP1EYA2APPACEKDM4E
SCHEMBL4564930 0.86 TDP1 (0.31) TDP1EYA2APPACEKDM4E
SCHEMBL14345486 0.86 TDP1 (0.31) TDP1EYA2APPACEKDM4E
SCHEMBL14439214 0.85
SCHEMBL12202789 0.82
SCHEMBL12202775 0.82
SCHEMBL8874144 0.81 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL3498361 0.81 TDP1 (0.33) TDP1EYA2APPACEKDM4E
SCHEMBL12694735 0.80 TDP1 (0.33) TDP1EYA2APPACEKDM4E

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
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
US-7871596-B2 Higher fatty acid triester compound having diethylenetriamine-type metal chelate structure FUJIFILM CORPORATION (JP) 2011-01-18 US disclosed
US-20080299043-A1 having superior solubility anf miscibility with membrane components of liposomes; suitable for a liposome contrast medium selective for a lesion such as vascular diseases; chelate compound FUJIFILM CORPORATION (JP) 2008-12-04 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (3 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CYP2D6 4872/4885TDP1 3429/4885EYA2 4040/4885
US-20080299043-A1 having superior solubility anf miscibility with membrane components of liposomes; suitable for a liposome contrast medium selective for a lesion such as vascular diseases; chelate compound LIPA, APOB, MSR1 CYP2D6 4692/4885TDP1 4742/4885EYA2 4448/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CYP2D6 4872/4885TDP1 3429/4885EYA2 4040/4885

“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.