Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL5167069

COC(C)=O.c1cc2cc-2c1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP4B1 P13584 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP3A5 P20815 1/20 0.48
CYP2A7 P20853 1/20 0.48
CYP3A7 P24462 1/20 0.48
CYP2F1 P24903 1/20 0.48
CYP2C18 P33260 1/20 0.48
CYP2J2 P51589 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4F8 P98187 1/20 0.48

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
SCHEMBL27693954 0.85 CYP2C19 (0.48) ALDH1A1CYP2C19CYP3A4CYP1A1CYP1A2
Acetone SCHEMBL18784619 0.84 KMO (0.52) CYP2C19CYP3A4CYP1A1CYP1A2CYP2E1
Biphenyl SCHEMBL27819830 0.82 SMN1; SMN2 (0.56) ALDH1A1CYP2C19KMT2AMAPT
Benzene SCHEMBL28772928 0.81 KMO (0.56) LMNAGAAKMOMEN1ESR1
Acetic Acid SCHEMBL734741 0.81 KMO (0.56) LMNAGAAKMOMEN1ESR1
SCHEMBL3028133 0.80 KMO (0.45) ALDH1A1CYP2C19CYP1A2KMOMEN1
Acetamide SCHEMBL1259199 0.79 DHODH (0.48) CYP2C19CYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL9566050 0.78 KMO (0.43) ALDH1A1CYP2C19CYP1A2KMOMEN1
M-Xylene SCHEMBL21296279 0.78 LMNA (0.61) ALDH1A1CYP3A4LMNAGAAMEN1
Ethyl Acetate SCHEMBL8096818 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2LMNAGAACA12

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
EP-0804468-B1 METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE DEVELOGEN ISRAEL LTD (IL) 2007-04-25 EP disclosed
US-7084244-B2 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2006-08-01 US disclosed
WO-2006051312-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2006-05-18 WO disclosed
US-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs DEVELOGEN ISRAEL LTD. (IL) 2003-07-31 US disclosed
US-6407059-B1 SOMATOSTATIN-TYPE DRUG PEPTOR LIMITED (IL) 2002-06-18 US disclosed
US-6265375-B1 Conformationally constrained backbone cyclized peptide analogs YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 2001-07-24 US disclosed
US-5874529-A BRADYKININ ANTAGONIST PEPTOR LTD. (IL) 1999-02-23 US disclosed
US-5811392-A BRADYKININ ANTAGONISTS; SOMATOSTATIN ANALOGS YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) 1998-09-22 US disclosed
EP-0804468-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD (IL) 1997-11-05 EP disclosed
WO-1995033765-A1 CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG PEPTOR LTD. (IL) 1995-12-14 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-20030144186-A1 Conformationally constrained backbone cyclized peptide analogs VIP, BDKRB1, BDKRB2 ALDH1A1 4862/4885CYP2C19 3991/4885CYP3A4 4403/4885

“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.