SCHEMBL109197

SCHEMBL109197

O=C(Cc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CTNNB1 P35222 4/20 0.60
WNT3A P56704 4/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPK1 P28482 1/20 0.59
MAOB P27338 3/20 0.56
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK9 P45984 1/20 0.54
SRD5A2 P31213 1/20 0.53

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
SCHEMBL11694008 0.88 TDP1 (0.65) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL11696819 0.88 KMT2A (0.59) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL25220510 0.88 RAB9A (0.59) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL1554690 0.87 CTNNB1 (0.66) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL1516344 0.87 NPC1 (0.83) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25209426 0.87 KDM4E (0.58) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL25199547 0.85 CTNNB1 (0.59) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL7812122 0.85 KMT2A (0.60) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL25222929 0.84 HSD17B10 (0.65) ALDH1A1CYP3A4CYP1A2CYP2C19NPC1
SCHEMBL6276695 0.84 RAB9A (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2527315-B1 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) 2014-03-19 EP 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-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-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-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
EP-1263758-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-12-11 EP disclosed
EP-1242421-A1 4-[ARYL(8-AZABICYCLO[3.2.1] OCTAN-3-YL)] AMINOBENZOIC ACID DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-09-25 EP disclosed
WO-2001066543-A2 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-09-13 WO disclosed
WO-2001046191-A1 4-[ARYL(8-AZABICYCLO[3.2.1]OCTAN-3-YL)]AMINOBENZOIC ACID DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-06-28 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 2631/4885CYP3A4 2303/4885CYP1A2 1606/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ALDH1A1 1308/4885CYP3A4 426/4885CYP1A2 271/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP ALDH1A1 1886/4885CYP3A4 911/4885CYP1A2 479/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT ALDH1A1 2540/4885CYP3A4 2096/4885CYP1A2 3259/4885
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 ALDH1A1 2767/4885CYP3A4 2505/4885CYP1A2 1675/4885

“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.