SCHEMBL17448294

SCHEMBL17448294

CCC(=O)N(CCN(CC(C)=O)CC(C)=O)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 1/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 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
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL22296865 0.84 ALDH1A1 (0.37) TDP1ALDH1A1EYA2APPACE
SCHEMBL25594540 0.83 ALDH1A1 (0.36) TDP1ALDH1A1LMNA
SCHEMBL17664802 0.83 CA12 (0.43) TDP1ALDH1A1LMNATSHRCA12
SCHEMBL10042458 0.82 ALDH1A1 (0.47) TDP1ALDH1A1LMNA
SCHEMBL18879446 0.81
SCHEMBL16250324 0.80 TDP1 (0.40) TDP1EYA2APPACEKDM4E
SCHEMBL23054328 0.79 ALDH1A1 (0.36) TDP1ALDH1A1
SCHEMBL8045363 0.79 ALDH1A1 (0.36) TDP1ALDH1A1
SCHEMBL3639097 0.79 TDP1 (0.53) TDP1ALDH1A1EYA2APPACE
SCHEMBL19903149 0.78 ALDH1A1 (0.43) TDP1ALDH1A1LMNACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS IONIS PHARMACEUTICALS, INC. (US) 2017-05-25 US disclosed
US-20160017323-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2016-01-21 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-20170145424-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS SI, FABP2, GNE TDP1 4589/4885ALDH1A1 2760/4885EYA2 3382/4885

“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.