Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL3179656

CCCCCOC(C)=O.Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARG P37231 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR2 P34972 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
Octyl Acetate SCHEMBL6670138 0.98 TSHR (0.58) TSHRCYP3A4MAPK1TP53ALDH1A1
Dodecylacetate SCHEMBL6669125 0.98 TSHR (0.58) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL10495637 0.95 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL8464588 0.95 ALDH1A1 (0.64) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL302627 0.95 ALDH1A1 (0.64) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL9577010 0.95 ALDH1A1 (0.64) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL20540736 0.95 ALDH1A1 (0.64) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL27662482 0.93 ALDH1A1 (0.62) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL9444274 0.93 ALDH1A1 (0.62) TSHRCYP3A4MAPK1TP53ALDH1A1
Acetic Acid Butyl Ester SCHEMBL1681479 0.92 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1

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-2061311-B1 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RES DEV COMPANY OF THE HEBREW UNIV OF JERUSALEM (IL) 2017-08-02 EP claimed
US-20100015236-A1 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-01-21 US claimed
EP-2061311-A2 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS Yissum Research Development Company of the Hebrew University of Jerusalem (IL) 2009-05-27 EP claimed
WO-2008032328-A2 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-03-20 WO claimed
US-20240188560-A1 STABLE EMULSIONS ADAMA AGAN LTD. (IL) 2024-06-13 US disclosed
EP-2061311-B1 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RES DEV COMPANY OF THE HEBREW UNIV OF JERUSALEM (IL) 2017-08-02 EP disclosed
US-9095133-B2 Pesticide nanoparticles obtained from microemulsions and nanoemulsions YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2015-08-04 US disclosed
US-20100015236-A1 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-01-21 US disclosed
EP-2061311-A2 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS Yissum Research Development Company of the Hebrew University of Jerusalem (IL) 2009-05-27 EP disclosed
WO-2008032328-A2 PESTICIDE NANOPARTICLES OBTAINED FROM MICROEMULSIONS AND NANOEMULSIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-03-20 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-20240188560-A1 STABLE EMULSIONS POLR2H, POLR2E, PHOSPHO1 TSHR 1862/4885CYP3A4 3603/4885MAPK1 3708/4885

“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.