SCHEMBL17364301

SCHEMBL17364301

CC(C)(C)OC(=O)NCCCCCNC(=O)COCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
CYP3A4 P08684 1/20 0.42
FAAH O00519 1/20 0.40
MIF P14174 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL17364289 0.92 MEN1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL13996639 0.91 MEN1 (0.50) TDP1MEN1KMT2AGAAMAOA
SCHEMBL15445093 0.90 MEN1 (0.49) TDP1MEN1KMT2AGAAMAOA
SCHEMBL29679063 0.87 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL9971647 0.87 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL13077420 0.87 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3486898 0.87 MEN1 (0.44) TDP1MEN1KMT2AGAAMAOA
SCHEMBL22940247 0.86 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL27376565 0.84 TDP1 (0.58) TDP1MEN1KMT2AGAAMAOA
SCHEMBL18179121 0.84 MEN1 (0.42) TDP1MEN1KMT2AGAAMAOA

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-9981043-B2 Analgesic conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-05-29 US disclosed
US-20150374836-A1 ANALGESIC CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-12-31 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-20150374836-A1 ANALGESIC CONJUGATES OPRL1, OPRK1, GRM5 TDP1 4354/4885MEN1 4401/4885KMT2A 1263/4885

“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.