SCHEMBL108697

SCHEMBL108697

c1cc(Cc2ccc3c(c2)OCO3)c(Cc2ccc3c(c2)OCO3)s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
TAAR1 Q96RJ0 3/20 0.47
SLC6A4 P31645 3/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A1 P30531 1/20 0.46

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
SCHEMBL6958979 0.79 EDNRA (0.45) ALDH1A1HSD17B10CYP3A4TAAR1CYP1A2
SCHEMBL108109 0.77 TAAR1 (0.62) ALDH1A1CYP3A4CYP2D6TAAR1SLC6A4
SCHEMBL28115635 0.75 CYP1A2 (0.47) ALDH1A1HSD17B10CYP3A4CYP2D6TAAR1
SCHEMBL108235 0.74 TAAR1 (0.55) ALDH1A1HSD17B10CYP3A4CYP2D6TAAR1
SCHEMBL7741575 0.74 TAAR1 (0.55) CYP3A4CYP2D6TAAR1SLC6A4CYP1A2
SCHEMBL7739721 0.73 TAAR1 (0.53) CYP3A4CYP2D6TAAR1SLC6A4CYP1A2
SCHEMBL7738598 0.73 TAAR1 (0.53) CYP3A4CYP2D6TAAR1SLC6A4CYP1A2
SCHEMBL7739741 0.73 TAAR1 (0.53) CYP3A4CYP2D6TAAR1SLC6A4CYP1A2
SCHEMBL7739774 0.73 TAAR1 (0.53) CYP3A4CYP2D6TAAR1SLC6A4CYP1A2
SCHEMBL108065 0.72 CALM1 (0.62) ALDH1A1CYP3A4CYP2D6TAAR1SLC6A4

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 46 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-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-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-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-8586585-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) 2013-11-19 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-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
WO-2009017848-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC. (US) 2009-02-05 WO 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
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US disclosed
WO-2003101927-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 PROTEOTECH, INC. (US) 2003-12-11 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 (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-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 ALDH1A1 2631/4885HSD17B10 1315/4885CYP3A4 2303/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ALDH1A1 1308/4885HSD17B10 167/4885CYP3A4 426/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP ALDH1A1 1886/4885HSD17B10 1021/4885CYP3A4 911/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT ALDH1A1 2540/4885HSD17B10 599/4885CYP3A4 2096/4885
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 ALDH1A1 3153/4885HSD17B10 476/4885CYP3A4 2372/4885

“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.