Avocatin A

Avocatin A

SCHEMBL10060809

C=CCCCCCCCCCCC[C@H](O)C[C@H](O)COC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 1.00
MAPT P10636 5/20 1.00
CYP3A4 P08684 4/20 1.00
ALDH1A1 P00352 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HPGD P15428 1/20 1.00
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.58
RECQL P46063 1/20 0.58
ABCC4 O15439 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
CYP2C9 P11712 1/20 0.34
DGKA P23743 1/20 0.34
PRKCA P17252 1/20 0.34
LPAR2 Q9HBW0 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LPAR1 Q92633 1/20 0.34

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
Avocatin A SCHEMBL31368575 1.00 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
Avocatin A SCHEMBL898834 1.00 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL25216029 0.90 USP2 (1.00) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL15944389 0.86 USP2 (0.75) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4948952 0.82 USP2 (0.70) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20063076 0.81 USP2 (0.79) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL29497636 0.81 USP2 (0.67) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL13054629 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1965555 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL27881284 0.81 USP2 (0.68) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10932484-B2 Inhibitory activity of acetogenins against Listeria monocytogenes INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2021-03-02 US disclosed
US-20200281198-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INST TECNOLOGICO ESTUDIOS SUPERIORES MONTERREY (MX) 2020-09-10 US disclosed
US-10575521-B2 Antimicrobial, antibacterial and spore germination inhibiting activity from an avocado extract enriched in bioactive compounds INSTITUTO TECHNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2020-03-03 US disclosed
US-20180161305-A1 ACETOGENIN MOLECULES HAVING ANTIPLATELET AND/OR ANTITHROMBIC ACTIVITIES, AND METHODS AND COMPOSITIONS THEREOF INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2018-06-14 US disclosed
US-20180161305-A1 ACETOGENIN MOLECULES HAVING ANTIPLATELET AND/OR ANTITHROMBIC ACTIVITIES, AND METHODS AND COMPOSITIONS THEREOF INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2018-06-14 US disclosed
US-20180103671-A1 INHIBITORY ACTIVITY OF ACETOGENINS AGAINST LISTERIA MONOCYTOGENES INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2018-04-19 US disclosed
US-20180103671-A1 INHIBITORY ACTIVITY OF ACETOGENINS AGAINST LISTERIA MONOCYTOGENES INSTITUTO TECNOLOGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2018-04-19 US disclosed
US-20170055526-A1 ANTIMICROBIAL ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INST TECNOLOGICO ESTUDIOS SUPERIORES MONTERREY (MX) 2017-03-02 US disclosed
US-20170055526-A1 ANTIMICROBIAL ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INST TECNOLOGICO ESTUDIOS SUPERIORES MONTERREY (MX) 2017-03-02 US disclosed
US-20160249613-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INST TECNOLOGICO ESTUDIOS SUPERIORES MONTERREY (MX) 2016-09-01 US disclosed
US-20160249613-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INST TECNOLOGICO ESTUDIOS SUPERIORES MONTERREY (MX) 2016-09-01 US disclosed
EP-2851062-A2 Antimicrobial, antibacterial and spore germination inhibiting activity from an avocado extract enriched in bioactive compounds Instituto Tecnologico Y De Estudios Superiores De Monterrey (MX) 2015-03-25 EP disclosed
US-20130216488-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS AVOMEX, INC (US) 2013-08-22 US disclosed
US-20130216488-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS AVOMEX, INC (US) 2013-08-22 US disclosed
WO-2012042404-A2 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS INSTITUTO TECHNOLÓGICO Y DE ESTUDIOS SUPERIORES DE MONTERREY (MX) 2012-04-05 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-20180103671-A1 INHIBITORY ACTIVITY OF ACETOGENINS AGAINST LISTERIA MONOCYTOGENES LTN1, LCT, LSS USP2 1358/4885MAPT 3556/4885CYP3A4 4070/4885
US-20180161305-A1 ACETOGENIN MOLECULES HAVING ANTIPLATELET AND/OR ANTITHROMBIC ACTIVITIES, AND METHODS AND COMPOSITIONS THEREOF PLA2G7, ANXA2, SERPINC1 USP2 3827/4885MAPT 4834/4885CYP3A4 2186/4885
US-10932484-B2 Inhibitory activity of acetogenins against Listeria monocytogenes LTN1, LCT, LSS USP2 1358/4885MAPT 3556/4885CYP3A4 4070/4885
US-20200281198-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS API5, CASP10, CASP8 USP2 2088/4885MAPT 3398/4885CYP3A4 2851/4885
US-10575521-B2 Antimicrobial, antibacterial and spore germination inhibiting activity from an avocado extract enriched in bioactive compounds API5, CASP10, CASP8 USP2 2088/4885MAPT 3398/4885CYP3A4 2851/4885
US-20170055526-A1 ANTIMICROBIAL ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS API5, CASP10, CASP1 USP2 2199/4885MAPT 3176/4885CYP3A4 2658/4885
US-20130216488-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS API5, CASP10, CASP8 USP2 2088/4885MAPT 3398/4885CYP3A4 2851/4885
US-20160249613-A1 ANTIMICROBIAL, ANTIBACTERIAL AND SPORE GERMINATION INHIBITING ACTIVITY FROM AN AVOCADO EXTRACT ENRICHED IN BIOACTIVE COMPOUNDS API5, CASP10, CASP8 USP2 2088/4885MAPT 3398/4885CYP3A4 2851/4885

“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.