Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL15622680

COC(C)=O.c1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 2/20 0.69
IDO1 P14902 2/20 0.69
ALPL P05186 1/20 0.69
GAA P10253 1/20 0.69
HPGD P15428 1/20 0.69
TTK P33981 1/20 0.69
MAPK10 P53779 1/20 0.69
MAP2K4 P45985 2/20 0.63
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
MAPK1 P28482 2/20 0.58
MAPKAPK3 Q16644 1/20 0.58
MAPK6 Q16659 1/20 0.58
STAT3 P40763 1/20 0.56
HIF1A Q16665 1/20 0.56
AURKA O14965 5/20 0.51
MAPK8 P45983 2/20 0.51
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL30768403 0.83 ALDH1A1 (1.00) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL855531 0.83 ALDH1A1 (1.00) KDM4EALDH1A1IDO1ALPLGAA
Propionic Acid SCHEMBL4552403 0.83 KDM4E (0.71) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL8126956 0.82 MAPK1 (0.72) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL17178615 0.79 ALDH1A1 (0.92) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL3732433 0.78 MAP2K4 (1.00) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL27968462 0.76 ALDH1A1 (0.85) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL28741879 0.76 MAP2K4 (0.76) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL29640072 0.76 MAP2K4 (0.76) KDM4EALDH1A1IDO1ALPLGAA
SCHEMBL31760855 0.76 KDM4E (0.65) KDM4EALDH1A1IDO1ALPLGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
WO-2014047662-A2 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-03-27 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-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 KDM4E 4525/4885ALDH1A1 1340/4885IDO1 131/4885

“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.