SCHEMBL3839743

SCHEMBL3839743

CC(=CCBr)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
KDM1A O60341 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL3839739 1.00 PTPN1 (0.41) PTPN1GSK3BKDM1AMTNR1AMTNR1B
SCHEMBL4691822 0.89 CYP3A4 (0.43) PTPN1GSK3BKDM1AMTNR1AMTNR1B
SCHEMBL4690637 0.89 CYP3A4 (0.43) PTPN1GSK3BKDM1AMTNR1AMTNR1B
SCHEMBL10991197 0.83 TBXAS1 (0.40) PTPN1GSK3BKDM1AMTNR1AMTNR1B
SCHEMBL10991192 0.83 TBXAS1 (0.40) PTPN1GSK3BKDM1AMTNR1AMTNR1B
SCHEMBL30705332 0.81 KDM1A (0.44) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL22993868 0.80 GSK3B (0.43) GSK3BCES2CES1
SCHEMBL3588721 0.79 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL5028746 0.79 KDM1A (0.42) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL1193963 0.79 KDM1A (0.42) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118173887-A Lithium-sulfur battery electrolyte and low-temperature-resistant lithium-sulfur battery 中国科学院大连化学物理研究所 2024-06-11 CN claimed
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
CN-101119726-B 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 2011-02-02 CN disclosed
CN-101616666-A Pharmaceutical composition for treating and preventing restenosis MD BIOALPHA CO LTD 2009-12-30 CN 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-2099448-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS Mazence Inc. (KR) 2009-09-16 EP 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
CN-101119726-A 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) 2008-02-06 CN 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 (3 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-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 PTPN1 2591/4885GSK3B 1374/4885KDM1A 4106/4885
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 PTPN1 2079/4885GSK3B 1245/4885KDM1A 3949/4885
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 PTPN1 2245/4885GSK3B 2631/4885KDM1A 3326/4885

“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.