SCHEMBL394346

SCHEMBL394346

O=C(OCc1ccccc1)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.55
HCAR2 Q8TDS4 1/20 0.55
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTRB1 P17538 2/20 0.49
CDC25B P30305 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL30441124 0.91 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12674439 0.90 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7596994 0.88 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9122358 0.88 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL25044916 0.85 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4955918 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL366832 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14066236 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1600361 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3206832 0.84 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors BAYER HEALTHCARE AG (DE) 2008-03-13 US disclosed
EP-1723121-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-11-22 EP disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 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 (1 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-20080064704-A1 1,4-Diaryl-Dihydropyrimidin-2-Ones and Their Use as Human Neutrophil Elastase Inhibitors SERPINB1, ELANE, MPO ALDH1A1 527/4885TDP1 2972/4885MAPK1 1501/4885

“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.