SCHEMBL973797

SCHEMBL973797

COc1cc2c(cc1OC)C(=O)C(O)=CC2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LCK P06239 2/20 0.44
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
TNFSF11 O14788 1/20 0.39
P4HB P07237 1/20 0.39
BACE1 P56817 1/20 0.38
EPHX2 P34913 2/20 0.37
GAPDH P04406 1/20 0.37
CYP3A4 P08684 2/20 0.37
ACHE P22303 2/20 0.37
HTT P42858 1/20 0.36
XIAP P98170 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL12822188 0.78 ALDH1A1 (0.54) CA1CA2CA7CA9LCK
SCHEMBL8993580 0.78 XIAP (0.39) CYP3A4XIAP
SCHEMBL30002673 0.78 XIAP (0.39) CYP3A4XIAP
SCHEMBL10494191 0.78 EPHX2 (0.56) EPHX2CYP3A4ACHEHTT
SCHEMBL9178309 0.77 BCL2 (0.48) P4HBCYP3A4XIAP
SCHEMBL5810336 0.77 CA1 (0.54) CA1CA2CA7CA9LCK
SCHEMBL4294055 0.77 PTPN1 (0.53) CA1CA2CA7CA9LCK
SCHEMBL9178172 0.77 PTPN1 (0.49) CA1CA2CA7CA9LCK
SCHEMBL30003052 0.77 PTPN1 (0.49) CA1CA2CA7CA9LCK
SCHEMBL29406983 0.77 PTPN1 (0.53) CA1CA2CA7CA9LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-03-07 US disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO disclosed
WO-2017106624-A1 NAPTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-22 WO disclosed
EP-2532390-B1 Pharmaceutical composition for liver diseases. MD BIOALPHA CO LTD (KR) 2016-08-17 EP disclosed
US-9066922-B2 Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases MD BIOALPHA CO., LTD. (KR) 2015-06-30 US disclosed
WO-2013159224-A1 2-CARBAMO(THIO)YL-1,3- DIOXOPROPYL DERIVATIVES IN CANCER THERAPY UNIVERSITY OF MANITOBA (CA) 2013-10-31 WO disclosed
US-20130245111-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES KT & G CO., LTD. (KR) 2013-09-19 US disclosed
US-20100239674-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE KT & G CO., LTD. (KR) 2010-09-23 US disclosed
US-20090292011-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MD BIOALPHA CO., LTD. (KR) 2009-11-26 US disclosed
EP-2099449-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE Mazence Inc. (KR) 2009-09-16 EP disclosed
EP-2099448-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS Mazence Inc. (KR) 2009-09-16 EP disclosed
WO-2009082124-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF GLAUCOMA MAZENCE INC. (KR) 2009-07-02 WO disclosed
US-20080146655-A1 Pharmaceutical Composition for the Treatment or Prevention of Diseases Involving Obesity, Diabetes, Metabolic Syndrome, Neuro-Degenerative Diseases and Mitochondria Dyfunction Diseases MD BIOALPHA CO., LTD. (KR) 2008-06-19 US disclosed
WO-2008066297-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066299-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE MAZENCE INC. (KR) 2008-06-05 WO disclosed
EP-1848432-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES Md Bioalpha Co., Ltd. (KR) 2007-10-31 EP disclosed
WO-2006088315-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES MD BIOALPHA CO., LTD. (KR) 2006-08-24 WO 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 (6 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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 CA1 4697/4885CA2 4710/4885CA7 3448/4885
US-20190071380-A1 NAPHTHOQUINONES, PRO-DRUGS, AND METHODS OF USE THEREOF NQO1, RECQL, ABCB1 CA1 4697/4885CA2 4710/4885CA7 3448/4885
US-20090292011-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES SLC25A20, SLC25A1, PC CA1 4463/4885CA2 2776/4885CA7 3101/4885
US-20080146655-A1 Pharmaceutical Composition for the Treatment or Prevention of Diseases Involving Obesity, Diabetes, Metabolic Syndrome, Neuro-Degenerative Diseases and Mitochondria Dyfunction Diseases NDUFAB1, CS, NLN CA1 4514/4885CA2 2707/4885CA7 3366/4885
US-20130245111-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES NLN, SLC25A20, ACAD9 CA1 4643/4885CA2 3707/4885CA7 3956/4885
US-20100239674-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE PDE3A, PDE3B, PDE2A CA1 4773/4885CA2 4107/4885CA7 4034/4885

“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.