SCHEMBL3864584

SCHEMBL3864584

CCOC(=O)C=Cc1ccc(OCc2ccccc2)cc1OCOC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.62
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
APP P05067 1/20 0.47
MAPT P10636 1/20 0.47
BACE1 P56817 1/20 0.45
NMT1 P30419 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGER3 P43115 1/20 0.43
PTGDR Q13258 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
NMT2 O60551 1/20 0.43

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
SCHEMBL3864580 1.00 HDAC8 (0.62) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL27737309 0.96 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL433576 0.92 HDAC8 (0.68) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL7907911 0.92 HDAC8 (0.68) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL1550023 0.90 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL1550021 0.90 HDAC8 (0.65) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL27716287 0.88 HDAC8 (0.64) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL18538460 0.88 HDAC8 (0.79) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL12035844 0.85 HDAC8 (0.56) HDAC8MEN1HSP90AA1KMT2AAKR1B10
SCHEMBL1549368 0.84 MEN1 (0.56) HDAC8MEN1HSP90AA1KMT2ANMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US 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-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 EP 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-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 HDAC8 1727/4885MEN1 3004/4885HSP90AA1 4225/4885
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 HDAC8 1683/4885MEN1 2350/4885HSP90AA1 4041/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 HDAC8 1374/4885MEN1 2666/4885HSP90AA1 3468/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 HDAC8 1977/4885MEN1 2911/4885HSP90AA1 4186/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 HDAC8 1336/4885MEN1 2193/4885HSP90AA1 3858/4885

“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.