SCHEMBL6047714

SCHEMBL6047714

CCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
BLM P54132 2/20 0.60
PMP22 Q01453 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
DRD1 P21728 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA1A P35348 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
EYA2 O00167 1/20 0.56
APP P05067 1/20 0.56
ACE P12821 1/20 0.56

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
SCHEMBL12191709 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL19661283 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL12191720 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15741243 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL17149985 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL8913177 1.00 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL5850824 0.98 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL5850408 0.98 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL2164568 0.98 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
Hydrochloric Acid SCHEMBL16714072 0.96 TDP1 (0.56) TDP1BLMPMP22KDM4ELMNA

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 8 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
US-5859214-A DTPA monoamides, pharmaceutical agents containing these compounds, their use and process for their production SCHERING AKTIENGESELLSHAFT (DE) 1999-01-12 US disclosed
US-5843399-A DTPA monoamides for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
US-5399340-A Organ-specific nuclear magnetic resonance diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
EP-0250358-A2 Novel complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1987-12-23 EP 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 4794/4885BLM 3866/4885PMP22 1826/4885

“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.