SCHEMBL7567930

SCHEMBL7567930

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 2/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.34
CHRM2 P08172 2/20 0.34
DRD3 P35462 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRA2A P08913 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL16558068 0.93 CA12 (0.39) CA12CA1CA9CA7CA14
SCHEMBL2137024 0.90 TDP1 (0.42) CA12CA1CA9CA7CA14
SCHEMBL19458 0.89 TDP1 (0.42) CA12CA1CA7CA14TDP1
SCHEMBL7564036 0.87 NR1D1 (0.36) CA12CA1CA7CA14TDP1
SCHEMBL16558064 0.86 DNM1 (0.39) CA12CA1CA7CA14LMNA
SCHEMBL7567960 0.85 CHRM2 (0.37) CA12CA1CA7CA14TDP1
SCHEMBL6700697 0.85 CA12 (0.43) CA12CA1CA9CA7CA14
SCHEMBL15197286 0.85 CA12 (0.38) CA12CA1CA9CA7CA14
SCHEMBL8777347 0.84 CA1 (0.35) CA12CA1CA9CA7CA14
SCHEMBL8719491 0.83 CA12 (0.40) CA12CA1CA9CA14DNM1

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-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 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-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 CA12 198/4885CA1 1271/4885CA9 124/4885

“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.