SCHEMBL5496677

SCHEMBL5496677

CC=CC(=O)OCC1=CCCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 1.00
CYP2C19 P33261 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MET P08581 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
EGFR P00533 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5496671 1.00 GSTP1 (1.00) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL10824824 0.81 GSTP1 (0.68) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL23500877 0.80 GSTP1 (0.67) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL23500879 0.79 GSTP1 (0.65) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL23500188 0.77 GSTP1 (0.62) GSTP1LMNAKDM4EALDH1A1
SCHEMBL5706344 0.77 GSTP1 (0.62) GSTP1LMNAKDM4EALDH1A1
SCHEMBL5491232 0.76 GSTP1 (0.61) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL13715203 0.75 GSTP1 (0.59) GSTP1CYP2C19TP53CYP3A4ALOX15
SCHEMBL13715186 0.74 GSTP1 (0.58) GSTP1CYP2C19TP53CYP3A4CYP2C9
SCHEMBL27439058 0.73 GSTP1 (0.57) GSTP1CYP2C19TP53CYP3A4CYP2C9

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-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors MARYLAND, UNIVERSITY OF, BALTIMORE COUNTY 2007-12-13 US disclosed
WO-2005115338-A2 MACROMOLECULAR GSH-ACTIVATED GLYOXYLASE I INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2005-12-08 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-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors GLO1, GGT1, GSTA1 GSTP1 4/4885CYP2C19 1559/4885TP53 304/4885

“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.