SCHEMBL5490166

SCHEMBL5490166

C=C(C)C(=O)CC1=CCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.49
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.31
THRB P10828 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL5491232 0.76 GSTP1 (0.61) GSTP1MAPTTP53THRB
SCHEMBL10552053 0.72 GSTP1 (0.58) GSTP1MAPT
SCHEMBL10824824 0.71 GSTP1 (0.68) GSTP1MAPTTP53
SCHEMBL3132479 0.70
SCHEMBL743966 0.70
SCHEMBL13983098 0.69 GSTP1 (0.49) GSTP1MAPTTP53HIF1A
SCHEMBL8545969 0.68 GSTP1 (0.44) GSTP1MAPTTP53
SCHEMBL1237584 0.67 GSTP1 (0.46) GSTP1MAPTTP53HIF1A
SCHEMBL3369781 0.67 MAPT (0.37) GSTP1MAPTTP53HIF1ATHRB
SCHEMBL9374330 0.67 GSTP1 (0.38) GSTP1

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 4/4885MAPT 4635/4885TP53 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.