SCHEMBL1433197

SCHEMBL1433197

CCOC(=O)C(C(=O)OCC)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
CDC25B P30305 3/20 0.51
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
MMP8 P22894 1/20 0.46
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
NPBWR1 P48145 1/20 0.44
LTC4S Q16873 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28028637 0.92 HPGD (0.49) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL846623 0.92 ALDH1A1 (0.49) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL20912990 0.90 ALDH1A1 (0.47) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL7925164 0.88 CTNNB1 (0.47) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL25156303 0.85 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL15203285 0.85 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL31360448 0.85 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL10412730 0.85 ALDH1A1 (0.51) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL20514279 0.84 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL283096 0.84 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981154-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed
US-8809373-B2 Pyridine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-8809373-B2 Pyridine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-8809373-B2 Pyridine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-08-19 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-8541431-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-09-24 US disclosed
US-20130123304-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-05-16 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
CN-1267296-A Barbituric acid derivatives with anti-metastatic and anti-tumor activities ROCH DIAGNOSIS EQUIPMENT AG (DE) 2000-09-20 CN disclosed
CN-1209123-A New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 1999-02-24 CN disclosed
US-5389616-A Renin inhibitor, hypotensive agent HOFFMAN-LAROCHE INC. (US) 1995-02-14 US disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
US-5256645-A Renin inhibitors; hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5192797-A Antiepileptic and anticonvulsant agents SYNTHELABO (FR) 1993-03-09 US disclosed
US-5134123-A Renin enzyme inhibitors for cardiovascular disorders and high blood pressure HOFFMAN-LA ROCHE INC. (US) 1992-07-28 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 (3 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885HPGD 613/4885CDC25B 3738/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 ALDH1A1 26/4885HPGD 613/4885CDC25B 3738/4885
US-20130123304-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, NPY1R ALDH1A1 2138/4885HPGD 839/4885CDC25B 2462/4885

“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.