SCHEMBL14536293

SCHEMBL14536293

CC(C)(C)OC(=O)NCCCCCNC(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
CA1 P00915 8/20 0.54
CA2 P00918 8/20 0.54
CA12 O43570 6/20 0.54
CA9 Q16790 6/20 0.54
CYP3A4 P08684 1/20 0.45
MIF P14174 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL3871437 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1GAA
SCHEMBL19611966 0.98 TDP1 (0.64) TDP1MAOAMAOBMEN1GAA
SCHEMBL7242095 0.95 TDP1 (0.59) TDP1MAOAMAOBMEN1GAA
SCHEMBL4648803 0.91 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL14958603 0.90 TDP1 (0.55) TDP1MAOAMAOBMEN1GAA
SCHEMBL22602535 0.89 TDP1 (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL7148142 0.87 TDP1 (0.51) TDP1MAOAMAOBMEN1GAA
SCHEMBL22602576 0.87 TDP1 (0.51) TDP1MAOAMAOBMEN1GAA
SCHEMBL137629 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL134329 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070104645-A1 Chelate based scaffolds in tumor targeting PARK FUNDING, LLC 2007-05-10 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-20070104645-A1 Chelate based scaffolds in tumor targeting ITGB3, ITGB1, ITGA2B TDP1 4856/4885MAOA 4751/4885MAOB 4558/4885

“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.