SCHEMBL20063073

SCHEMBL20063073

C=CCC/C=C/CCCCC/C=C/[C@H](O)C[C@H](O)COC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.71
CYP3A4 P08684 3/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 1/20 0.71
RECQL P46063 1/20 0.71
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
DGKA P23743 1/20 0.41
PRKCA P17252 1/20 0.41
LPAR1 Q92633 8/20 0.40
LPAR4 Q99677 4/20 0.40
LPAR2 Q9HBW0 4/20 0.40
LPAR3 Q9UBY5 4/20 0.40
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 2/20 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
SCHEMBL20063070 1.00 USP2 (0.71) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL20063076 0.95 USP2 (0.79) USP2CYP3A4MAPTSMN1; SMN2LMNA
Dehydroavocatin-1-Acetate SCHEMBL12998512 0.83 MAPT (1.00) USP2CYP3A4MAPTSMN1; SMN2LMNA
Avocatin A SCHEMBL31368575 0.76 USP2 (1.00) USP2CYP3A4MAPTSMN1; SMN2LMNA
Avocatin A SCHEMBL10060809 0.76 USP2 (1.00) USP2CYP3A4MAPTSMN1; SMN2LMNA
Avocatin A SCHEMBL898834 0.76 USP2 (1.00) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL1164200 0.72 USP2 (0.63) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL15944389 0.72 USP2 (0.75) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL4948952 0.71 USP2 (0.70) USP2CYP3A4MAPTSMN1; SMN2LMNA
Undecylenic Acid SCHEMBL28809242 0.70 MAPT (0.62) USP2CYP3A4MAPTSMN1; SMN2LMNA

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 1 patent. 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

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.