SCHEMBL20063077

SCHEMBL20063077

CC(=O)OCC(O)C[C@@H](O)CCCCCCC/C=C/CCC#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.64
CYP3A4 P08684 3/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
MEN1 O00255 1/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
DGKA P23743 1/20 0.38
PRKCA P17252 1/20 0.38
LPAR1 Q92633 7/20 0.37
LPAR4 Q99677 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL20248050 0.87 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL20063072 0.87 USP2 (0.76) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL4948952 0.84 USP2 (0.70) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL12096998 0.81 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL1164493 0.81 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL1164492 0.81 USP2 (0.65) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocatin A SCHEMBL31368575 0.78 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocatin A SCHEMBL898834 0.78 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocatin A SCHEMBL10060809 0.78 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; SMN2
Avocadyne Acetate SCHEMBL12235380 0.75 USP2 (1.00) USP2CYP3A4MAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180103671-A1 INHIBITORY ACTIVITY OF ACETOGENINS AGAINST LISTERIA MONOCYTOGENES LTN1, LCT, LSS USP2 1358/4885CYP3A4 4070/4885MAPT 3556/4885

“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.