SCHEMBL9953537

SCHEMBL9953537

CC(C)(C)C(=O)O[Zn]Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RIPK1 Q13546 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL13543649 0.75 L3MBTL1 (0.54) ELANEL3MBTL1NPC1CASP3RAB9A
SCHEMBL28584628 0.74 L3MBTL1 (0.52) ELANEL3MBTL1NPC1CASP3RAB9A
SCHEMBL9953935 0.73 ALDH1A1 (0.50) ELANEL3MBTL1NPC1RAB9AKDM4E
SCHEMBL9952821 0.72 MAOB (0.47) L3MBTL1MEN1KMT2AMAOBNR4A2
SCHEMBL9953505 0.70 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14254882 0.68 KDM4E (0.54) RAB9AHPGDKDM4ERIPK1SMN1; SMN2
SCHEMBL13551942 0.68 ELANE (0.70) ELANEKMT2A
SCHEMBL13686642 0.68 MAOB (0.66) MAOBNR4A2
SCHEMBL28787890 0.68 LMNA (0.49) HPGDKDM4EKMT2ALMNAALDH1A1
Pivalate SCHEMBL9953540 0.67 HPGD (0.46) L3MBTL1HPGDKDM4ERIPK1SMN1; SMN2

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 ELANE 3606/4885L3MBTL1 834/4885NPC1 1747/4885

“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.