SCHEMBL9952959

SCHEMBL9952959

Cc1noc(C)c1[Zn]OC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD4 O60885 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL27925912 0.70 ELANE (0.36) L3MBTL1BRD4CACNA1FCACNA1DCACNA1S
SCHEMBL28599398 0.69 ELANE (0.35) L3MBTL1BRD4CACNA1FCACNA1DCACNA1S
SCHEMBL14664134 0.63 ALDH1A1 (0.44) ALDH1A1L3MBTL1TSHRHTTGAA
SCHEMBL15441063 0.61 ELANE (0.34)
Pivalate SCHEMBL9952964 0.61 BRD4 (0.34) ALDH1A1L3MBTL1BRD4CACNA1FCACNA1D
Bromide SCHEMBL29026323 0.60 BRD4 (0.38) ALDH1A1BRD4TSHRGAA
Pivalate SCHEMBL9952955 0.60 BRD4 (0.33) ALDH1A1L3MBTL1BRD4TSHR
SCHEMBL14254945 0.60 HTT (0.40) ALDH1A1L3MBTL1BRD4TSHRHTT
SCHEMBL29384007 0.59 PRKCA (0.37)
SCHEMBL2176508 0.57 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRGAA

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-2655382-B1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-09-28 EP 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 ALDH1A1 185/4885L3MBTL1 834/4885BRD4 646/4885

“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.