SCHEMBL9953935

SCHEMBL9953935

CC(C)(C)C(=O)O[Zn]Cc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.37
ELANE P08246 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL27925887 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL28917643 0.78 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9953537 0.73 ELANE (0.42) ALDH1A1RAB9ANPC1KMT2AMEN1
Pivalate SCHEMBL9953938 0.72 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL3091984 0.72 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL25229193 0.70 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1KMT2AMEN1
Pivalate SCHEMBL9953929 0.70 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL19323949 0.70 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL8070376 0.70 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL3084797 0.69 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1KMT2AMEN1

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 185/4885RAB9A 2760/4885NPC1 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.