Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL837627

COC(C)=O.Clc1cccc(Cl)c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
PARP1 P09874 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
OGG1 O15527 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
Acetic Acid Methyl Ester SCHEMBL837637 0.86 RAB9A (0.56) MEN1KMT2AMAPTLMNAHTT
Methyl Carbamate SCHEMBL28017042 0.84 PARP1 (0.55) MEN1KMT2AMAPTLMNAHTT
Chlorobenzene SCHEMBL27686451 0.84 TSHR (0.52) MEN1KMT2AMAPTLMNAHTT
Acetic Acid SCHEMBL3557295 0.83 PARP1 (0.52) MEN1KMT2AMAPTLMNAHTT
SCHEMBL27709514 0.83 PARP1 (0.52) MEN1KMT2AMAPTLMNAHTT
Chlorobenzene SCHEMBL27927236 0.82 TSHR (0.50) MEN1KMT2AMAPTLMNAHTT
Acetic Acid SCHEMBL16752520 0.81 PARP1 (0.50) MEN1KMT2AMAPTLMNAHTT
SCHEMBL27966316 0.80 OGG1 (0.53) MEN1KMT2AMAPTLMNAHTT
Methoxymethane SCHEMBL27712801 0.80 TSHR (0.50) ALDH1A1
Chlorobenzene SCHEMBL27598201 0.78 TSHR (0.46) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
CN-102887838-A Preparation method of guanfacine hydrochloride HENAN ZHONGSHUAI PHARMA SCIENCE AND TECHNOLOGY CO LTD 2013-01-23 CN disclosed
CN-101808992-B 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2012-09-26 CN disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
CN-101808992-A 1,1,1-trifluoro-2-hydroxy-3-phenylpropane derivatives HOFFMANN LA ROCHE 2010-08-18 CN disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (2 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MEN1 1863/4885KMT2A 2149/4885MAPT 3375/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MEN1 1863/4885KMT2A 2149/4885MAPT 3375/4885

“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.