Benzoquinone

Benzoquinone

SCHEMBL4866260

CC(C)(C)OO.O=C1C=CC(=O)C=C1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 2/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MDM2 Q00987 1/20 0.47
DHODH Q02127 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MIF P14174 1/20 0.37
ALOX15 P16050 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33

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
Benzoquinone SCHEMBL13730784 0.74 TDP1 (0.44) ALDH1A1TDP1HSD17B10BCHEPOLB
Benzoquinone SCHEMBL9457254 0.73 TDP1 (0.73) ALDH1A1TDP1HSD17B10BCHEPOLB
Tert-Butyl Hydroperoxide SCHEMBL20212 0.73
Tert-Butyl Hydroperoxide SCHEMBL8377296 0.73 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1ALOX15
Tert-Butyl Hydroperoxide SCHEMBL788774 0.73 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1ALOX15
Tert-Butyl Hydroperoxide SCHEMBL4451004 0.70
Tert-Butyl Hydroperoxide SCHEMBL10998804 0.70
Tert-Butyl Hydroperoxide SCHEMBL29374805 0.70 ALDH1A1 (0.75) ALDH1A1TDP1
Benzoquinone SCHEMBL456644 0.70 TDP1 (0.67) ALDH1A1TDP1HSD17B10BCHEPOLB
Tert-Butyl Hydroperoxide SCHEMBL309338 0.70 ALDH1A1 (0.75) ALDH1A1TDP1HSD17B10MAPK1ALOX15

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-7414160-B2 Process for producing aromatic compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-19 US disclosed
US-20060106261-A1 Process for producing aromatic compounds ISHII YASUTAKA 2006-05-18 US disclosed
US-7019179-B2 Oxidizing aromatic compound with a heteropolyacid and/or salt or mixture containing P or Si and V, Mo or W; and eitherreducing to form a hydroxide group, coupling with O2 or alkylation or alkenylation using Pd compound catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-28 US disclosed
US-20030171625-A1 Process for producing aromatic compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342711-A2 Process for producing aromatic compounds Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP 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-20060106261-A1 Process for producing aromatic compounds PAH, HPD, HAO2 ALDH1A1 1406/4885TDP1 3194/4885HSD17B10 1117/4885
US-20030171625-A1 Process for producing aromatic compounds PAH, HPD, HAO2 ALDH1A1 1406/4885TDP1 3194/4885HSD17B10 1117/4885

“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.