SCHEMBL175454

SCHEMBL175454

Nc1ccc(O)c(OC(=O)[C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
OPRK1 P41145 6/20 0.37
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RGS12 O14924 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
GNAI1 P63096 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL175453 0.84 ACE (0.44) CA2OPRK1ALDH1A1NFKB1HIF1A
SCHEMBL170116 0.84 ACE (0.44) CA2OPRK1ALDH1A1NFKB1HIF1A
SCHEMBL6221760 0.79 KDM4E (0.49) CA2OPRK1ALDH1A1NFKB1HIF1A
SCHEMBL6221764 0.79 KDM4E (0.49) CA2OPRK1ALDH1A1NFKB1HIF1A
SCHEMBL13602459 0.74 SMN1; SMN2 (0.48) ALDH1A1HPGDITGB1ITGA4
SCHEMBL2601967 0.74 ERCC1 (0.59) ALDH1A1POLBNPC1CYP3A4CYP2C9
SCHEMBL175736 0.73 YWHAG (0.53) CA2ALDH1A1NFKB1HIF1ATDP1
SCHEMBL108111 0.73 HTT (0.50) ALDH1A1TSHRITGB1ITGA4
SCHEMBL9346531 0.70 LMNA (0.51) ALDH1A1LMNA
Dopamine SCHEMBL11763041 0.70 ALDH1A1 (0.44) ALDH1A1NFKB1HIF1ATDP1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US claimed
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PROTAMED, INC. 2011-06-16 US claimed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US claimed
US-20170008838-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS MODULATORS OF TAU AGGREGATION AND ALLEVIATION OF TAUOPATHIES PROTAMED INC (US) 2017-01-12 US disclosed
US-9469605-B2 Compounds and compositions for use a modulators of tau aggregation and alleviation of tauopathies PROTAMED, INC. (US) 2016-10-18 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-20150038591-A1 Compounds, compositions and methods for the treatment of tauopathies PROTAMED, INC. 2015-02-05 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-20140288183-A1 Compounds and Compositions for use a Modulators of Tau Aggregation and Alleviation of Tauopathies PROTAMED, INC. 2014-09-25 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
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO 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
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-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-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-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTAMED, INC. 2004-07-01 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 (11 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-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis IAPP, SNCA, IDE CA2 4193/4885OPRK1 2048/4885ALDH1A1 3877/4885
US-20150038591-A1 Compounds, compositions and methods for the treatment of tauopathies MAPT, PSEN2, PSEN1 CA2 3907/4885OPRK1 821/4885ALDH1A1 2189/4885
US-20140288183-A1 Compounds and Compositions for use a Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT CA2 2412/4885OPRK1 2389/4885ALDH1A1 4740/4885
US-20110144124-A1 Compounds and Compositions for Use as Modulators of Tau Aggregation and Alleviation of Tauopathies PSEN2, PSEN1, MAPT CA2 2485/4885OPRK1 2317/4885ALDH1A1 4749/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 CA2 3400/4885OPRK1 122/4885ALDH1A1 2018/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 CA2 2891/4885OPRK1 55/4885ALDH1A1 1308/4885
US-20170008838-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS MODULATORS OF TAU AGGREGATION AND ALLEVIATION OF TAUOPATHIES PSEN2, PSEN1, MAPT CA2 2485/4885OPRK1 2317/4885ALDH1A1 4749/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP CA2 3541/4885OPRK1 3792/4885ALDH1A1 1886/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT CA2 4585/4885OPRK1 397/4885ALDH1A1 2540/4885
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 CA2 2552/4885OPRK1 2875/4885ALDH1A1 2767/4885
US-20090069432-A1 Bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; Alzheimer's disease; diabetes; A beta amyloidosis IAPP, APP, SNCA CA2 3839/4885OPRK1 2920/4885ALDH1A1 2505/4885

“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.