SCHEMBL16158166

SCHEMBL16158166

CC(C)(C)OC(=O)NCCOCCOCCOCC(=O)NCCOCCOCCCCCCCl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 7/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 7/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 5/20 0.39
ADRB2 P07550 2/20 0.38
HTR1A P08908 2/20 0.38
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
GBA1 P04062 1/20 0.36

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
SCHEMBL14481915 0.92 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL30753856 0.92 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL30945241 0.92 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL38657600 0.91 TDP1 (0.53) TDP1CA12CA1CA2CA9
SCHEMBL31250521 0.90 TDP1 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL26731692 0.88 TDP1 (0.42) TDP1CA12CA1CA2CA9
SCHEMBL16158154 0.88 TDP1 (0.49) TDP1CA12CA1CA2CA9
SCHEMBL29497312 0.85 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL25756347 0.85 TDP1 (0.57) TDP1CA12CA1CA2CA9
SCHEMBL18608123 0.84 TDP1 (0.42) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-9632089-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2017-04-25 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-9500653-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2016-11-22 US disclosed
US-20140302523-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same YALE UNIVERSITY (US) 2014-10-09 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 (2 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-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 TDP1 3380/4885CA12 3900/4885CA1 4116/4885
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 TDP1 3372/4885CA12 3931/4885CA1 4080/4885

“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.