Sugi Predict

Sugi Predict / Compounds / Ethyl Acetate

Ethyl Acetate

Ethyl Acetate

SCHEMBL4415607

CCOC(C)=O.OCCC1CCCCC1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ METAP2 P50579 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
Ethyl Acetate SCHEMBL1058290 0.85 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10METAP2ATM
Ethyl Acetate SCHEMBL28258502 0.81 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10METAP2ATM
Ethyl Acetate SCHEMBL11626907 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ATML3MBTL1
Acetic Acid SCHEMBL4901860 0.81 CYP1A2 (0.43) ALDH1A1LMNACYP1A2EPHX1HSD11B1
Ethyl Acetate SCHEMBL5273475 0.80 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10METAP2ATM
Biphenyl SCHEMBL28087429 0.79 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10ATML3MBTL1
Ethyl Acetate SCHEMBL2216445 0.79 LMNA (0.50) ALDH1A1LMNAHSD17B10ATML3MBTL1
Alcohol SCHEMBL4828293 0.78 CYP1A2 (0.54) CYP1A2L3MBTL1HSD11B1HPGD
Cyclohexane SCHEMBL7331889 0.78 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10ATML3MBTL1
Cyclohexane SCHEMBL1172967 0.78 ALDH1A1 (0.82) ALDH1A1LMNAHSD17B10ATML3MBTL1

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
US-20090325918-A1 Synthesis and separation of optically active isomers and cyclopropyl derivatives of spironolactone and their biological action SOMBERG JOHN C 2009-12-31 — — US disclosed
WO-2006052263-A1 SYNTHESIS AND SEPARATION OF OPTICALLY ACTIVE ISOMERS AND CYCLOPROPYL DERIVATIVES OF SPIRONOLACTONE AND THEIR BIOLOGICAL ACTION RANADE VASANT V (US) 2006-05-18 — — WO disclosed
US-4808599-A IMMUNOMODULATORY, CARDIOTONIC AGENTS RHONE-POULENC SANTE (FR) 1989-02-28 — — US disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 — — US disclosed
US-3992375-A Dibenzoxazepine N-carboxylic acid hydrazines and derivatives G. D. SEARLE & CO. (US) 1976-11-16 — — US 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-20090325918-A1 Synthesis and separation of optically active isomers and cyclopropyl derivatives of spironolactone and their biological action HSD17B7, CYP17A1, HSD17B11 ALDH1A1 2056/4885LMNA 1139/4885HSD17B10 37/4885

“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.