Pivalate

Pivalate

SCHEMBL9952824

CC(C)(C)C(=O)O.FC(F)(F)c1cccc(C[Zn])c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
EPHX1 P07099 4/20 0.50
NR4A2 P43354 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MAOB P27338 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
IDO1 P14902 1/20 0.47
CES2 O00748 1/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL5103155 0.84 TAAR1 (0.64) ACP3MEN1KMT2AMAPTHTR2A
SCHEMBL27926032 0.82 ACP3 (0.51) ACP3MEN1KMT2AMAPTEPHX1
Bromide SCHEMBL3602086 0.82 TAAR1 (0.62) ACP3MEN1KMT2AMAPTHTR2A
Hydrochloric Acid SCHEMBL2124663 0.82 IDO1 (0.63) ACP3MEN1KMT2AMAPTHTR2A
Pivalate SCHEMBL9952899 0.81 CES2 (0.49) MEN1KMT2AMAPTMAOBCES2
SCHEMBL2166746 0.81 MAPT (0.50) ACP3MEN1KMT2AMAPTEPHX1
SCHEMBL2166749 0.81 MAPT (0.50) ACP3MEN1KMT2AMAPTEPHX1
SCHEMBL28245991 0.81 MEN1 (0.50) ACP3MEN1KMT2AMAPTEPHX1
SCHEMBL13012068 0.80 MEN1 (0.56) ACP3MEN1KMT2AMAPTEPHX1
SCHEMBL27925867 0.80 GRM2 (0.56) ACP3MEN1KMT2AMAPTEPHX1

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
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
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 ACP3 3256/4885MEN1 673/4885KMT2A 167/4885

“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.