SCHEMBL392233

SCHEMBL392233

CCOC(=O)C(C)COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.47
SLC1A1 P43005 1/20 0.47
MMP8 P22894 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
PIN1 Q13526 1/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 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
SCHEMBL21246536 0.90 ALDH1A1 (0.55) LMNAL3MBTL1ALDH1A1SLC1A1CA1
SCHEMBL4906646 0.85 KMT2A (0.49) L3MBTL1ALDH1A1SLC1A1CA1CA2
SCHEMBL4909047 0.85 KMT2A (0.49) L3MBTL1ALDH1A1SLC1A1CA1CA2
SCHEMBL1195693 0.85 KMT2A (0.49) L3MBTL1ALDH1A1SLC1A1CA1CA2
SCHEMBL17783287 0.85 MMP8 (0.55) LMNAL3MBTL1ALDH1A1SLC1A1MMP8
SCHEMBL23620881 0.84 L3MBTL1 (0.51) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL20180712 0.84 L3MBTL1 (0.51) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL20180360 0.84 L3MBTL1 (0.51) LMNAL3MBTL1ALDH1A1MMP8PIN1
SCHEMBL1785824 0.84 CA1 (0.50) LMNAL3MBTL1ALDH1A1SLC1A1MMP8
SCHEMBL1785822 0.84 CA1 (0.50) LMNAL3MBTL1ALDH1A1SLC1A1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314665-A A kind of preparation method of 3- oxetanes formic acid 上海馨远医药科技有限公司 2018-07-24 CN claimed
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 LMNA 3309/4885L3MBTL1 3739/4885ALDH1A1 527/4885

“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.