Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL2917892

CCCCCOC(C)=O.COCCO

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
TSHR P16473 3/20 0.47
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 7/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CES2 O00748 1/20 0.41

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 SCHEMBL15021138 0.94 ALDH1A1 (0.72) ALDH1A1TSHRNAAAACHEHCAR2
2-Methoxyethanol SCHEMBL2382470 0.92 ALDH1A1 (0.54) ALDH1A1TSHRACHE
Acetic Acid Pentyl Ester SCHEMBL18393753 0.90 ALDH1A1 (0.71) ALDH1A1TSHRNAAAEPHX1MEN1
Acetic Acid Pentyl Ester SCHEMBL28121728 0.90 MEN1 (0.56) ALDH1A1TSHRNAAAEPHX1MEN1
Butyl Alcohol SCHEMBL28260804 0.89 ALDH1A1 (0.63) ALDH1A1TSHRNAAAEPHX1ACHE
Acetic Acid Pentyl Ester SCHEMBL8810314 0.88 ALDH1A1 (0.74) ALDH1A1TSHRNAAAEPHX1ACHE
Acetic Acid Pentyl Ester SCHEMBL27792614 0.88 ALDH1A1 (0.74) ALDH1A1TSHRNAAAEPHX1ACHE
Acetic Acid Butyl Ester SCHEMBL28160205 0.87 ALDH1A1 (0.67) ALDH1A1TSHRNAAAEPHX1ACHE
Hexane SCHEMBL4809269 0.87 ALDH1A1 (0.52) ALDH1A1TSHRNAAAEPHX1MEN1
Hexyl Acetate SCHEMBL2764089 0.86 ALDH1A1 (0.65) ALDH1A1TSHRNAAAEPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961250-B2 Short-acting benzodiazepine salts and their polymorphic forms PAION UK LIMITED (GB) 2021-03-30 US disclosed
US-20200039990-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2020-02-06 US disclosed
US-10472365-B2 Short-acting benzodiazepine salts and their polymorphic forms PAION UK LIMITED (GB) 2019-11-12 US disclosed
US-20180186803-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2018-07-05 US disclosed
US-9914738-B2 Short-acting benzodiazepine salts and their polymorphic forms PAION UK LIMITED (GB) 2018-03-13 US disclosed
US-20180002338-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2018-01-04 US disclosed
EP-2852389-B1 COMPOSITIONS COMPRISING SHORT-ACTING BENZODIAZEPINES PAION UK LTD (GB) 2017-10-18 EP disclosed
US-9777007-B2 Short-acting benzodiazepine salts and their polymorphic forms PAION UK LIMITED (GB) 2017-10-03 US disclosed
US-20160176881-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2016-06-23 US disclosed
US-9193730-B2 Short-acting benzodiazepine salts and their polymorphic forms PAION UK LIMITED (GB) 2015-11-24 US disclosed
US-20150148338-A1 COMPOSITIONS COMPRISING SHORT-ACTING BENZODIAZEPINES PAION UK LIMITED (GB) 2015-05-28 US disclosed
EP-2852389-A1 COMPOSITIONS COMPRISING SHORT-ACTING BENZODIAZEPINES Paion UK Limited (GB) 2015-04-01 EP disclosed
WO-2013174883-A1 COMPOSITIONS COMPRISING SHORT-ACTING BENZODIAZEPINES PAION UK LIMITED (GB) 2013-11-28 WO disclosed
EP-2081921-B1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LTD (GB) 2010-09-08 EP disclosed
US-20100081647-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK LIMITED (GB) 2010-04-01 US disclosed
EP-2081921-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS PAION UK Limited (GB) 2009-07-29 EP disclosed
WO-2008007071-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS CENES LIMITED (GB) 2008-01-17 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 (8 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-20150148338-A1 COMPOSITIONS COMPRISING SHORT-ACTING BENZODIAZEPINES GABRA5, GABRA2, GABRA1 ALDH1A1 951/4885TSHR 1686/4885NAAA 2876/4885
US-20160176881-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-10472365-B2 Short-acting benzodiazepine salts and their polymorphic forms GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-20180186803-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-20100081647-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-20200039990-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-10961250-B2 Short-acting benzodiazepine salts and their polymorphic forms GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885
US-20180002338-A1 SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS GABRA5, GABRA6, GABRA1 ALDH1A1 646/4885TSHR 1325/4885NAAA 2469/4885

“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.