Pivalate

Pivalate

SCHEMBL9953503

CC(C)(C)C(=O)[O-].COc1cccc(C[Zn+])c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTBP2 P56545 1/20 0.47
MMP13 P45452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CMA1 P23946 1/20 0.45
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
Hydrochloric Acid SCHEMBL1792278 0.82 TAAR1 (0.58) ALDH1A1CMA1IDO1AGXTTAAR1
Bromide SCHEMBL3939438 0.82 TAAR1 (0.58) ALDH1A1CMA1IDO1AGXTTAAR1
SCHEMBL6513030 0.76 CTBP2 (0.57) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2
SCHEMBL8218798 0.76 CTBP2 (0.60) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2
Pivalate SCHEMBL9953510 0.75 CYP1A2 (0.54) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2
Pivalate SCHEMBL9953130 0.74 CYP4F2 (0.56) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13686647 0.74 MMP1 (0.56) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2
SCHEMBL13543222 0.74 CYP24A1 (0.57) MTNR1AMTNR1BTAAR1
SCHEMBL15471187 0.73 MMP13 (0.65) ALDH1A1HTTSMN1; SMN2MMP13MEN1
SCHEMBL28246109 0.73 MMP1 (0.54) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2

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 CYP1A2 1830/4885ALDH1A1 185/4885HTT 3830/4885

“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.