SCHEMBL973754

SCHEMBL973754

Cc1coc2c1C(=O)C(=O)C=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.50
NQO1 P15559 4/20 0.41
POR P16435 4/20 0.41
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
KDM1A O60341 1/20 0.33
EED O75530 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PTPN6 P29350 1/20 0.33
BLM P54132 1/20 0.33
PTPN11 Q06124 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
HIF1A Q16665 1/20 0.33
NSD1 Q96L73 1/20 0.33
EPAS1 Q99814 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IDO1 P14902 2/20 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
SCHEMBL8336398 0.87 PDF (0.41) PDFNQO1PORCES1CES2
SCHEMBL17104861 0.71 NQO1 (0.32) NQO1POR
SCHEMBL14236260 0.68 NQO1 (0.33) NQO1POR
SCHEMBL290186 0.68 PDF (1.00) PDFMAPTTDP1KDM5A
SCHEMBL783241 0.66 PDF (1.00) PDFMAPTTDP1KDM5A
SCHEMBL10459823 0.61 NQO1 (0.59) NQO1PORCES1CES2KDM1A
SCHEMBL8310508 0.60 ACHE (0.41) PDFMAPTTDP1
SCHEMBL5940262 0.59 NQO1 (0.68) NQO1PORCES1CES2KDM1A
SCHEMBL14253089 0.58 CDC25B (0.48) NQO1PORPOLBMAPTBLM
SCHEMBL30029972 0.58 CDC25B (0.48) NQO1PORPOLBMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1848432-B1 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) 2013-07-17 EP disclosed
US-8466141-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) 2013-06-18 US disclosed
EP-2532388-A2 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) 2012-12-12 EP disclosed
EP-2532389-A2 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) 2012-12-12 EP disclosed
EP-2532390-A2 Pharmaceutical composition for obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases Md Bioalpha Co., Ltd. (KR) 2012-12-12 EP disclosed
US-20120114714-A1 METHOD FOR THE TREATMENT AND PREVENTION OF ERECTILE DYSFUNCTION KWAK TAEHWAN (KR) 2012-05-10 US disclosed
US-20110020448-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF GLAUCOMA MAZENCE, INC. (KR) 2011-01-27 US disclosed
US-20100255054-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS KT & G CO., LTD. (KR) 2010-10-07 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120114714-A1 METHOD FOR THE TREATMENT AND PREVENTION OF ERECTILE DYSFUNCTION PDE3A, PDE3B, PDE2A PDF 664/4885NQO1 377/4885POR 413/4885
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 PDF 33/4885NQO1 237/4885POR 632/4885
US-20110020448-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF GLAUCOMA PDE3A, SLC5A1, GUCY1B1 PDF 2277/4885NQO1 582/4885POR 511/4885
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 PDF 21/4885NQO1 260/4885POR 902/4885
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 PDF 21/4885NQO1 250/4885POR 909/4885
US-20100255054-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS TGFB1, TGFB2, PCSK9 PDF 4277/4885NQO1 2070/4885POR 1633/4885
US-20100239674-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE PDE3A, PDE3B, PDE2A PDF 425/4885NQO1 406/4885POR 667/4885

“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.