SCHEMBL3752923

SCHEMBL3752923

COc1c(Cl)c(/C=C(\C)C(=O)NCCCCCCNC(=O)OC(C)(C)C)c(OC)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 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
SCHEMBL3751277 0.82 APEX1 (0.50) DRD2MAPT
SCHEMBL3751273 0.82 APEX1 (0.50) DRD2MAPT
SCHEMBL3750600 0.78 TDP1 (0.46) DRD2CYP3A4TDP1CA1CA2
SCHEMBL3752037 0.78 TDP1 (0.46) DRD2CYP3A4TDP1CA1CA2
SCHEMBL13894723 0.77 SLC2A1 (0.35) DRD2
SCHEMBL20123260 0.75 APEX1 (0.47) DRD2MAPT
SCHEMBL3754343 0.74 APEX1 (0.66) DRD2TDP1MAPTCA1CA2
SCHEMBL13080225 0.73 TDP1 (0.52) CYP3A4TDP1
SCHEMBL3750250 0.72 AKR1C3 (0.45) CA12CA9
SCHEMBL3754493 0.72 AKR1C3 (0.45) CA12CA9

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 8 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
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-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US 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
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 DRD2 1845/4885CYP3A4 387/4885TDP1 118/4885

“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.