Ethyl Acetate

Ethyl Acetate

SCHEMBL575043

CCOC(C)=O.COC(=O)c1ccc(C)nc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40

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
SCHEMBL64763 0.87 MAPK1 (0.67) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL30574349 0.87 MAPK1 (0.67) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL27625609 0.86 MAPK1 (0.57) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL659139 0.84 CA12 (0.56) KDM4EL3MBTL1HDAC1HDAC6ALDH1A1
SCHEMBL7528438 0.81 MAPK1 (0.59) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL7443540 0.79 MAPK1 (0.53) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL10659687 0.77 HDAC1 (0.53) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL2382926 0.77 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL27787011 0.77 SMN1; SMN2 (0.54) MAPK1KDM4EL3MBTL1HDAC1HDAC6
SCHEMBL7528433 0.76 KDM4E (0.58) MAPK1KDM4EL3MBTL1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149467-B2 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A. CHINA (CN) 2015-10-06 US disclosed
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 EP disclosed
EP-2417973-B1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO [4, 3-B]INDOLE DERIVATIVE INST PHARM & TOXICOLOGY AMMS (CN) 2013-08-28 EP disclosed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 EP disclosed
US-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCE P.L.A.CHINA (CN) 2012-05-17 US disclosed
EP-2417973-A1 SUSTAINED RELEASE COMPOSITION CONTAINING TETRAHYDROPYRIDO Ý4, 3-b¨INDOLE DERIVATIVE AND PREPARATION METHOD OF DERIVATIVE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2012-02-15 EP 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-20120122914-A1 Sustained-release composition containing tetrahydropyrido[4,3-b]indole derivatives and preparation of the derivatives HTT, HTR5A, HTR3B MAPK1 3494/4885KDM4E 895/4885L3MBTL1 3773/4885

“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.