SCHEMBL1274044

SCHEMBL1274044

CCOC(=O)C(C(=O)OCC)c1cccc(-c2cccc(Cl)c2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 9/20 0.52
▸ CDC7 O00311 1/20 0.42
▸ DBF4 Q9UBU7 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ DAGLB Q8NCG7 1/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37
▸ MCL1 Q07820 1/20 0.37

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
SCHEMBL812910 0.90 CTSA (0.54) CTSAMMP8ALDH1A1MAPT
SCHEMBL7102817 0.82 MMP8 (0.42) CTSAMMP8ALDH1A1SMN1; SMN2MAPT
SCHEMBL1274812 0.80 CTSA (0.52) CTSASCN9ADAGLBDAGLABCL2L1
SCHEMBL1274836 0.78 MEN1 (0.45) CTSAMAPT
SCHEMBL9052329 0.77 MMP8 (0.50) MMP8ALDH1A1SMN1; SMN2MAPT
SCHEMBL1274076 0.76 AOC3 (0.44) CTSACDC7DBF4ALDH1A1LMNA
Ethyl Acetate SCHEMBL27263183 0.75 CDC7 (0.45) CTSACDC7DBF4ALDH1A1LMNA
Ethyl Acetate SCHEMBL27447758 0.74 CDC7 (0.44) CTSACDC7DBF4ALDH1A1LMNA
Ethyl Acetate SCHEMBL27778289 0.74 CDC7 (0.44) CTSACDC7DBF4ALDH1A1LMNA
SCHEMBL1491141 0.74 MMP8 (0.53) MMP8ALDH1A1MAPT

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-2462124-B9 MESOIONIC PESTICIDES DU PONT (US) 2017-08-23 — — EP disclosed
US-9596856-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 — — US disclosed
US-20160066577-A1 MESOIONIC PESTICIDES FMC CORPORATION 2016-03-10 — — US disclosed
US-9210932-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-12-15 — — US disclosed
US-20140206536-A1 MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-24 — — US disclosed
US-8722690-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 — — US disclosed
EP-2462124-B1 MESOIONIC PESTICIDES DU PONT (US) 2014-01-08 — — EP disclosed
US-20120277100-A1 MESOIONIC PESTICIDES FMC CORPORATION 2012-11-01 — — US disclosed
EP-2462124-A2 MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 — — EP disclosed
WO-2011017342-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 — — 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 (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-20140206536-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 CTSA 2585/4885CDC7 1736/4885DBF4 2435/4885
US-20160066577-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 CTSA 2585/4885CDC7 1736/4885DBF4 2435/4885
US-20120277100-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 CTSA 2655/4885CDC7 1664/4885DBF4 2413/4885

“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.

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