SCHEMBL358094

SCHEMBL358094

COc1ccc(OC)c2c1C(=O)C=CC2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.63
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
S1PR4 O95977 1/20 0.54
HSP90AA1 P07900 1/20 0.54
G6PD P11413 1/20 0.54
S1PR1 P21453 1/20 0.54
OPRK1 P41145 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
MCL1 Q07820 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54

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
SCHEMBL29442957 1.00 TOP1 (0.63) TOP1CA1CA2CA7CA9
Hydrogen Sulfide SCHEMBL28484519 0.97 TOP1 (0.61) TOP1CA1CA2CA7CA9
Sulfur Dioxide SCHEMBL28202805 0.93 CA1 (0.57) TOP1CA1CA2CA7CA9
SCHEMBL17265615 0.87 PIM1 (0.66) TOP1CA1CA2CA7CA9
SCHEMBL8996375 0.87 TOP1 (0.52) TOP1CA1CA2CA7CA9
SCHEMBL29018332 0.86 TOP1 (0.55) TOP1CA1CA2CA7CA9
SCHEMBL30492232 0.86 TOP1 (0.55) TOP1CA1CA2CA7CA9
SCHEMBL10823285 0.82 MAPT (0.50) TOP1CA1CA2CA7CA9
SCHEMBL27657122 0.80 CDC25A (0.52) TOP1CA1CA2CA7CA9
SCHEMBL3414850 0.78 TOP1 (1.00) TOP1CA1CA2CA7CA9

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991664-A Naphthoquinone oxime derivative with antibacterial activity and medical application thereof 上海交通大学 2023-04-21 CN claimed
CN-107793380-B 2, 3-epoxy-2-propyl sulfone-5, 8-dimethoxy-1, 4-naphthoquinone, preparation method thereof and medicine containing same 黑龙江八一农垦大学 2021-04-23 CN claimed
CN-107759538-B 2, 3-epoxy-2-nonane sulfone-5, 8-dimethoxy-1, 4-naphthoquinone, preparation method thereof and medicine containing same 黑龙江八一农垦大学 2021-04-23 CN claimed
CN-107721893-B 2- naphthalene sulfydryl -5,8- dimethoxy -1,4- naphthoquinone compound and preparation method thereof and drug containing it 黑龙江八一农垦大学 2019-09-24 CN claimed
CN-107879958-B 2- (4- methoxybenzene sulfydryl) -5,8- dimethoxy -1,4- naphthoquinones and preparation method thereof and drug containing it 黑龙江八一农垦大学 2019-07-19 CN claimed
CN-107879958-A Naphthoquinones of 2 (4 methoxybenzene sulfydryl) 5,8 dimethoxy 1,4 and preparation method thereof and the medicine containing it 黑龙江八农垦大学 2018-04-06 CN claimed
CN-107721893-A Naphthoquinone compound of 2 naphthalene sulfydryl, 5,8 dimethoxy 1,4 and preparation method thereof and the medicine containing it 黑龙江八农垦大学 2018-02-23 CN claimed
JP-3002390-A None JP disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
CN-107759538-B 2, 3-epoxy-2-nonane sulfone-5, 8-dimethoxy-1, 4-naphthoquinone, preparation method thereof and medicine containing same 黑龙江八一农垦大学 2021-04-23 CN disclosed
CN-107793380-B 2, 3-epoxy-2-propyl sulfone-5, 8-dimethoxy-1, 4-naphthoquinone, preparation method thereof and medicine containing same 黑龙江八一农垦大学 2021-04-23 CN disclosed
WO-2008018645-A1 PESTICIDES KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 WO disclosed
CN-1827578-A Anti-tumor naphthoquinone formic acid soft analogues UNIV SHANGHAI JIAOTONG (CN) 2006-09-06 CN disclosed
CN-1827578-A Anti-tumor naphthoquinone formic acid soft analogues UNIV SHANGHAI JIAOTONG (CN) 2006-09-06 CN disclosed
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed
JP-H032390-A PRODUCTION OF 5,8-DIMETHOXY-1,4-NAPHTHOQUINONE DERIVATIVE OSAKA ORGANIC CHEM IND LTD 1991-01-08 JP 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC TOP1 4499/4885CA1 1537/4885CA2 1806/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC TOP1 4499/4885CA1 1537/4885CA2 1806/4885

“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.