SCHEMBL396644

SCHEMBL396644

CC(=O)CC(=O)OC(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.45
CTSK P43235 3/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSB P07858 2/20 0.43
ALOX15 P16050 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ELANE P08246 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL396643 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL7115554 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL18354708 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL19245074 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL18631638 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL18631637 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL19534725 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL29863118 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL6523978 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TSHRCTSK
SCHEMBL11948049 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1LMNASLC6A2

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 5 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

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 527/4885L3MBTL1 3739/4885MAPK1 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.