SCHEMBL9954037

SCHEMBL9954037

COc1ccc(OC(=O)C(C)(C)C)cc1.[Zn]

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.70
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PRTN3 P24158 1/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11596680 0.98 ELANE (0.73) ELANECES2CES1NPSR1CA1
SCHEMBL22369614 0.89 ELANE (0.86) ELANEPRTN3
SCHEMBL15706819 0.89 ELANE (0.61) ELANECES2CES1NPSR1PRTN3
SCHEMBL17655604 0.86 ELANE (0.65) ELANENPSR1PRTN3MAPK1RAB9A
SCHEMBL437118 0.83 ELANE (0.53) ELANECES2CES1NPSR1CA1
SCHEMBL13998362 0.83 ELANE (0.76) ELANEPRTN3HSD17B10
SCHEMBL8403640 0.83 ELANE (0.81) ELANEPRTN3
SCHEMBL10483745 0.83 ELANE (1.00) ELANEPRTN3RAB9A
SCHEMBL4569941 0.81 ELANE (0.73) ELANEPRTN3LMNA
SCHEMBL28197586 0.81 ELANE (0.70) ELANEPRTN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655382-B1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-09-28 EP disclosed
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed
CN-108586500-A Zinc co-ordination complex and the method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2018-09-28 CN disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
EP-2655382-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME Ludwig-Maximilians-Universität München (DE) 2013-10-30 EP disclosed
WO-2012085168-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2012-06-28 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C ELANE 3606/4885CES2 2671/4885CES1 3382/4885

“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.