SCHEMBL3750600

SCHEMBL3750600

COc1c(C)c(/C=C(\C)C(=O)NCCCCCCNC(=O)OC(C)(C)C)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA12 O43570 6/20 0.42
CA9 Q16790 6/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 3/20 0.38
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.37
DYRK1A Q13627 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
SCHEMBL3752037 1.00 TDP1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL3729288 0.83 PAOX (0.42) MEN1GAAKMT2A
SCHEMBL3729283 0.83 PAOX (0.42) MEN1GAAKMT2A
SCHEMBL13049445 0.83 APEX1 (0.45) TDP1CA1CA2CA12CA9
SCHEMBL3752923 0.78 DRD2 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL23196781 0.74 TDP1 (0.60) TDP1CA1CA2CA12CA9
SCHEMBL28735515 0.74 TDP1 (0.60) TDP1CA1CA2CA12CA9
SCHEMBL7210090 0.72 TDP1 (0.76) TDP1CA1CA2CA12CA9
SCHEMBL137629 0.71 TDP1 (0.85) TDP1CA1CA2CA12CA9
SCHEMBL134329 0.71 TDP1 (0.85) TDP1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 TDP1 118/4885CA1 4364/4885CA2 4109/4885

“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.