SCHEMBL437106

SCHEMBL437106

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL438113 0.92 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL4621864 0.92 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL992084 0.92 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL19458 0.84 TDP1 (0.42) TDP1BLMPMP22KDM4ELMNA
SCHEMBL7129262 0.83 TDP1 (0.47) TDP1BLMPMP22KDM4ELMNA
SCHEMBL6859731 0.83 TDP1 (0.47) TDP1BLMPMP22KDM4ELMNA
SCHEMBL18145576 0.82 TDP1 (0.42) TDP1BLMPMP22KDM4ELMNA
SCHEMBL419703 0.82 TDP1 (0.42) TDP1BLMPMP22KDM4ELMNA
SCHEMBL16087987 0.82 NR1D1 (0.32) NR1D1
SCHEMBL6227790 0.81 TDP1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065384-A1 FLUORESCENT MRI PROBE THE UNIVERSITY OF TOKYO (JP) 2012-03-15 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-20120065384-A1 FLUORESCENT MRI PROBE GLRA1, GLRA3, GDI1 TDP1 3116/4885BLM 2885/4885PMP22 853/4885

“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.