SCHEMBL5547592

SCHEMBL5547592

COCCOCCOCCOCCOCCOCCOCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCOCCOCCOCCOCCOCCOCCOC)CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 16/20 0.46
CA2 P00918 16/20 0.46
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
Versetamide SCHEMBL2109367 0.91 TDP1 (0.50) BLMPMP22HSD17B10CA1CA2
SCHEMBL8103783 0.91 TDP1 (0.50) BLMPMP22HSD17B10CA1CA2
SCHEMBL14520967 0.90 CA1 (0.46) BLMPMP22HSD17B10CA1CA2
SCHEMBL3153992 0.90 TSHR (0.44) BLMPMP22HSD17B10CA1CA2
Versetamide SCHEMBL23202642 0.89 TDP1 (0.48) BLMPMP22HSD17B10CA1CA2
Versetamide SCHEMBL15844631 0.89 TDP1 (0.48) BLMPMP22HSD17B10CA1CA2
SCHEMBL8089255 0.89 TDP1 (0.48) BLMPMP22HSD17B10CA1CA2
Versetamide SCHEMBL17848990 0.88 TDP1 (0.47) BLMPMP22HSD17B10CA1CA2
SCHEMBL3152537 0.87 CA1 (0.39) BLMPMP22HSD17B10CA1CA2
SCHEMBL29344308 0.87 BLM (0.51) BLMPMP22HSD17B10CA1CA2

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
EP-1806350-A2 Amphipatic polycarboxylic chelates and complexes with paramagnetic metals as MRI contrast agents BRACCO International B.V. (NL) 2007-07-11 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
US-6342598-B1 BLOOD-POOL CONTRAST AGENTS OF OUTSTANDING LONG LIFE IN CIRCULATION BRACCO INTERNATIONAL B.V. (NL) 2002-01-29 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 BLM 2449/4885PMP22 442/4885HSD17B10 4139/4885

“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.