SCHEMBL108101

SCHEMBL108101

c1cc2c(cc1C(c1ccc3c(c1)OCO3)c1ccc3c(c1)OCO3)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPK1 P28482 2/20 0.55
ACHE P22303 3/20 0.50
SMAD3 P84022 1/20 0.49
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
P4HB P07237 2/20 0.46
MAPK9 P45984 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7898797 0.82 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1599758 0.82 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11217449 0.82 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10913854 0.82 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18626121 0.82 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2661346 0.82 SLC6A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL70200 0.82 MEN1 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL108228 0.82 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11407223 0.81 SMAD3 (0.66) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10328415 0.80 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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 48 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-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-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-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
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-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 CYP3A4 426/4885CYP1A2 271/4885CYP2D6 634/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP CYP3A4 911/4885CYP1A2 479/4885CYP2D6 1084/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT CYP3A4 2096/4885CYP1A2 3259/4885CYP2D6 1747/4885
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 CYP3A4 2505/4885CYP1A2 1675/4885CYP2D6 2719/4885
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 CYP3A4 2372/4885CYP1A2 1586/4885CYP2D6 3148/4885

“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.