SCHEMBL6047712

SCHEMBL6047712

CC(C(=O)O)N(CCN(CCN(CC(=O)O)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.35

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
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
PMP22 Q01453 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL3752312 0.75 CYP1A2 (0.32) TDP1EYA2APPACEKDM4E
SCHEMBL15083253 0.68 TDP1 (0.70) TDP1EYA2APPACEKDM4E
SCHEMBL4632079 0.68 CA12 (0.46) TDP1EYA2APPACEKDM4E
SCHEMBL10618538 0.67 GABRP (0.32) TDP1EYA2APPACEKDM4E
SCHEMBL9342972 0.66 TDP1 (0.40) TDP1EYA2APPACEKDM4E
SCHEMBL15080653 0.66 CA12 (0.48) TDP1EYA2APPACEKDM4E
SCHEMBL10247869 0.66 TDP1 (0.71) TDP1EYA2APPACEKDM4E
SCHEMBL562965 0.66 TDP1 (0.47) TDP1EYA2APPACEKDM4E
SCHEMBL562830 0.65 FFAR3 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL6320153 0.65 FFAR3 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074387-B2 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AG (DE) 2006-07-11 US disclosed
US-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6565830-B1 Contrast agent for imaging SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6287538-B1 CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-11 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-20030202943-A1 DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SLC43A1, HRH4, ACSL6 TDP1 4794/4885EYA2 4824/4885APP 3486/4885

“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.