SCHEMBL614835

SCHEMBL614835

CCC(C=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
SLC6A4 P31645 1/20 0.41
ACP3 P15309 1/20 0.40
AOC3 Q16853 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
TSHR P16473 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
SCHEMBL7385915 0.82 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL28275551 0.82 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL28782552 0.82 ALDH1A1 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL24258027 0.82 CYP2C19 (0.46) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL11747611 0.80 CYP2A6 (0.42) CYP2C9CYP2C19ALDH1A1CYP1A2KMT2A
SCHEMBL28153106 0.79 CYP2C9 (0.43) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL11741877 0.79 NCEH1 (0.40) CYP2C9CYP2C19ALDH1A1CYP1A2KMT2A
SCHEMBL27482256 0.78 CYP2C9 (0.56) CYP2C9CYP2C19ALDH1A1CYP1A2ACP3
SCHEMBL11014440 0.77 CYP2C9 (0.42) CYP2C9CYP2C19ALDH1A1CYP1A2SLC6A4
SCHEMBL6445077 0.77 AOC3 (0.49) CYP2C9CYP2C19ALDH1A1CYP1A2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US claimed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-8981152-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-17 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-8779200-B2 Microwave induced single step green synthesis of some novel 2-aryl aldehydes and their analogues COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-15 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2012-02-16 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
US-4762566-A ALDOL CONDENSATION PRODUCTS, ELECTRODES UNION CARBIDE CORPORATION (US) 1988-08-09 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 (5 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 CYP2C9 104/4885CYP2C19 75/4885ALDH1A1 1073/4885
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 CYP2C9 641/4885CYP2C19 444/4885ALDH1A1 1070/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 CYP2C9 699/4885CYP2C19 468/4885ALDH1A1 1017/4885
US-20140197024-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES WFS1, EPHX2, MANBA CYP2C9 1648/4885CYP2C19 1887/4885ALDH1A1 36/4885
US-20120041234-A1 MICROWAVE INDUCED SINGLE STEP GREEN SYNTHESIS OF SOME NOVEL 2-ARYL ALDEHYDES AND THEIR ANALOGUES AADAC, NAT1, CTRB1 CYP2C9 642/4885CYP2C19 747/4885ALDH1A1 2216/4885

“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.