SCHEMBL6096598

SCHEMBL6096598

O=C1C=C(O)C(=O)C(c2c[nH]c3c(Cl)cccc23)=C1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
NR4A2 P43354 1/20 0.40
DYRK1A Q13627 3/20 0.40
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
RIPK1 Q13546 3/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 2/20 0.36
DAO P14920 2/20 0.36
KDM4E B2RXH2 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL6095132 0.84 CLK1 (0.40) ARDYRK1ASLC6A4
SCHEMBL6096362 0.84 GPR84 (0.40) ARRIPK1SLC6A4
SCHEMBL6098001 0.84 BRPF1 (0.43) ARNR4A2PRKCBPRKCAPRKCH
SCHEMBL6096646 0.82 CSNK2A2 (0.44) ARPRKCBPRKCAPRKCHPRKCE
SCHEMBL6095610 0.81 ALDH1A1 (0.47) ARDYRK1AHTR2AKDM4ENR3C1
SCHEMBL6095551 0.79 XIAP (0.38) DAOKDM4E
SCHEMBL6096750 0.79 GPR84 (0.40) NR4A2PRKCBPRKCAPRKCHPRKCQ
SCHEMBL6097125 0.78 PRKCB (0.54) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL6095891 0.77 AR (0.34) ARPRKCBPRKCAPRKCHPRKCE
SCHEMBL6093340 0.76 XIAP (0.33) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA AR 4343/4885NR4A2 3653/4885DYRK1A 2359/4885

“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.