SCHEMBL13635956

SCHEMBL13635956

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NR1D1 P20393 4/20 0.34
EYA2 O00167 1/20 0.32
APP P05067 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
SCHEMBL19458 0.90 TDP1 (0.42) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL19543084 0.84 TDP1 (0.48) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL4621864 0.83 TDP1 (0.58) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL438113 0.83 TDP1 (0.58) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL7567960 0.83 CHRM2 (0.37) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL992084 0.83 TDP1 (0.58) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL29484958 0.83 CA14 (0.38) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL13787056 0.81 TDP1 (0.35) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL15178401 0.81 TDP1 (0.35) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL24896787 0.81 NR1D1 (0.33) TDP1KDM4ELMNACHRM2ADRA2A

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-8562953-B2 Dendritic polymers and magnetic resonance imaging contrast agent employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-10-22 US disclosed
US-20130030139-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-01-31 US disclosed
US-8303937-B2 Dendritic polymers and magnetic resonance imaging contrast agent employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-11-06 US disclosed
US-20090169480-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 US disclosed
US-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-07-02 US disclosed
US-20070154390-A1 Nuclear molecular imaging contrast agent INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-07-05 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-20070154390-A1 Nuclear molecular imaging contrast agent H1-3, H1-10, H1-4 TDP1 2842/4885KDM4E 3290/4885LMNA 1586/4885
US-20090169481-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME DCLK1, MSR1, S1PR3 TDP1 3487/4885KDM4E 2887/4885LMNA 2032/4885
US-20090169480-A1 DENDRITIC POLYMERS AND MAGNETIC RESONANCE IMAGING CONTRAST AGENT EMPLOYING THE SAME CD14, DCUN1D3, CCR3 TDP1 4571/4885KDM4E 2005/4885LMNA 2856/4885

“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.