SCHEMBL7564036

SCHEMBL7564036

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.36
NR1H3 Q13133 1/20 0.34
CA14 Q9ULX7 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
CYP2D6 P10635 1/20 0.32
CASR P41180 1/20 0.32
DGAT1 O75907 1/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7801946 0.91 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL19458 0.89 TDP1 (0.42) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL6534683 0.88 NR1D1 (0.34) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL7567930 0.87 CA12 (0.37) NR1D1CA14CA12CA1CA7
SCHEMBL27420033 0.86 NR1D1 (0.38) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL422349 0.85 CHRM2 (0.36) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL545038 0.85 NR1D1 (0.36) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL3031948 0.85 ALOX15 (0.41) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL6017421 0.84 PAOX (0.38) NR1D1NR1H3CA14HDAC1HDAC2
SCHEMBL7905922 0.84 BLM (0.43) NR1D1CA1TDP1EYA2APP

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 NR1D1 307/4885NR1H3 1679/4885CA14 399/4885

“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.