Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL2340112

CC(=O)OC(C)(C)C.CCCCOC(C)=O

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
ATM Q13315 1/20 0.45
TSHR P16473 6/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38

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 Butyl Ester SCHEMBL27008653 0.86 ALDH1A1 (0.75) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL28788427 0.85 ALDH1A1 (0.82) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL8026335 0.85 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL28984633 0.85 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL14969 0.85
Acetic Acid Butyl Ester SCHEMBL1350194 0.85
Acetic Acid Butyl Ester SCHEMBL28960923 0.85 ALDH1A1 (1.00) ALDH1A1ATMTSHRHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL28774477 0.83 ALDH1A1 (0.78) ALDH1A1ATMTSHRHPGDHCAR2
Dodecane SCHEMBL27624776 0.83 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1GAA
Heptane SCHEMBL5841596 0.83 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-01-10 US claimed
WO-2011098938-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-08-18 WO claimed
EP-1263979-A4 METHOD OF PURIFYING A FERMENTATION BROTH BIOGAL GYOGYSZERGYAR (HU) 2003-05-21 EP claimed
EP-1263979-A1 METHOD OF PURIFYING A FERMENTATION BROTH BIOGAL GYOGYSZERGYAR RT. (HU) 2002-12-11 EP claimed
US-6387258-B1 PRETREATMENT TO REMOVAL IMPURITIES; SOLVENT EXTRACTION BIOGAL GYOGYSZERGYAR RT. (HU) 2002-05-14 US claimed
WO-2001062949-A1 METHOD OF PURIFYING A FERMENTATION BROTH BIOGAL GYOGYSZERGYAR RT (HU) 2001-08-30 WO claimed
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-01-10 US disclosed
WO-2011098938-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-08-18 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-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE CYP2D6, CYP2S1, CYP2F1 ALDH1A1 1044/4885ATM 4574/4885TSHR 2388/4885

“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.