SCHEMBL179028

SCHEMBL179028

O=C(NCC1CCCC(CNC(=O)c2ccc3c(c2)OCO3)C1)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
HSD17B10 Q99714 1/20 0.66
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.55
MAPT P10636 1/20 0.55
PTGS2 P35354 1/20 0.53
HTT P42858 1/20 0.53
MCHR1 Q99705 1/20 0.53
KMT2A Q03164 1/20 0.51

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
SCHEMBL15458941 0.91 HPGD (0.56) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL3457717 0.91 HPGD (0.67) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL14413436 0.91 RAB9A (0.66) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL12728586 0.88 HPGD (0.53) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL27304811 0.80 HPGD (0.55) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL11147878 0.80 HPGD (0.74) HPGDHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL140390 0.78 EGFR (0.53) NPC1KMT2A
SCHEMBL6248105 0.78 EGFR (0.53) NPC1KMT2A
SCHEMBL13702266 0.76 HPGD (0.66) HPGDRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL11760155 0.75 HPGD (0.77) HPGDRAB9ANPC1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051253-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes, and parkinson's PROTEOTECH INC. (US) 2015-06-09 US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 US disclosed
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2014-02-06 US disclosed
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2013-09-19 US disclosed
US-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE PROTAMED, INC. 2012-09-06 US disclosed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US disclosed
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease PROTAMED, INC. 2011-07-14 US disclosed
US-7919530-B2 Compounds, compositions, and methods for the treatment of synucleinopathies PROTEOTECH, INC. (US) 2011-04-05 US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 US disclosed
US-7514583-B2 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTEOTECH, INC. (US) 2009-04-07 US disclosed
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH INC. 2009-03-12 US disclosed
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis PROTEOTECH INC. 2009-03-12 US disclosed
WO-2008154083-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES PROTEO TECH INC. (US) 2008-12-18 WO disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US disclosed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US disclosed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 US disclosed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 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 (8 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-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE IAPP, SNCA, APP HPGD 2343/4885HSD17B10 1315/4885RAB9A 2389/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 HPGD 2220/4885HSD17B10 368/4885RAB9A 3306/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP HPGD 1703/4885HSD17B10 1021/4885RAB9A 3204/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT HPGD 1667/4885HSD17B10 599/4885RAB9A 326/4885
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP HPGD 2330/4885HSD17B10 1480/4885RAB9A 2086/4885
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP HPGD 2353/4885HSD17B10 476/4885RAB9A 2093/4885
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease IAPP, SNCA, APP HPGD 2343/4885HSD17B10 1315/4885RAB9A 2389/4885
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA HPGD 3013/4885HSD17B10 1206/4885RAB9A 2497/4885

“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.