SCHEMBL22015751

SCHEMBL22015751

CC(=O)OCC1=CC(=O)C(C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GSTP1 P09211 2/20 0.36
IDO1 P14902 3/20 0.35
TDO2 P48775 3/20 0.35
CYP3A4 P08684 1/20 0.30

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
SCHEMBL23163121 0.82 ALDH1A1 (0.36) ALDH1A1GSTP1IDO1TDO2
SCHEMBL21963892 0.82 ALDH1A1 (0.36) ALDH1A1GSTP1IDO1TDO2
SCHEMBL24329178 0.71 ALDH1A1 (0.38) ALDH1A1GSTP1IDO1TDO2CYP3A4
SCHEMBL7027969 0.66 ALDH1A1 (0.36) ALDH1A1GSTP1CYP3A4
SCHEMBL26201117 0.64 ALDH1A1 (0.34) ALDH1A1GSTP1IDO1TDO2CYP3A4
SCHEMBL7167746 0.63 ALDH1A1 (0.52) ALDH1A1CYP3A4
SCHEMBL7167743 0.63 ALDH1A1 (0.52) ALDH1A1CYP3A4
SCHEMBL7000520 0.60 ALDH1A1 (0.40) ALDH1A1GSTP1CYP3A4
SCHEMBL132773 0.59 ALDH1A1 (0.78) ALDH1A1CYP3A4
SCHEMBL5666942 0.59 ALDH1A1 (0.64) ALDH1A1CYP3A4

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-20220002222-A1 ATTRACTANT COMPOSITION FOR THE SPECIES DELOTTOCOCCUS ABERIAE, METHODS FOR THE MONITORING, DETECTION AND/OR CONTROL OF THE PEST ECOLOGIA Y PROTECCION AGRICOLA, S.L. (ES) 2022-01-06 US disclosed
WO-2020099705-A1 COMPOSITION THAT ATTRACTS THE SPECIES DELOTTOCOCCUS ABERIAE AND METHODS FOR DETECTING, MONITORING AND/OR CONTROLLING THE PEST ECOLOGIA Y PROTECCION AGRICOLA, S.L. (ES) 2020-05-22 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-20220002222-A1 ATTRACTANT COMPOSITION FOR THE SPECIES DELOTTOCOCCUS ABERIAE, METHODS FOR THE MONITORING, DETECTION AND/OR CONTROL OF THE PEST ACMSD, SAT1, AMD1 ALDH1A1 904/4885GSTP1 2677/4885IDO1 1007/4885

“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.