SCHEMBL5491232

SCHEMBL5491232

C=C(C)C(=O)OCC1=CCCCC1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.61
TSHR P16473 4/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL10824824 0.84 GSTP1 (0.68) GSTP1TSHRALDH1A1CYP2C19TP53
SCHEMBL23500877 0.80 GSTP1 (0.67) GSTP1TSHRCYP2C19TP53ALOX15
SCHEMBL23500879 0.79 GSTP1 (0.65) GSTP1TSHRCYP2C19TP53ALOX15
SCHEMBL5490166 0.76 GSTP1 (0.49) GSTP1TP53THRBMAPT
SCHEMBL5496677 0.76 GSTP1 (1.00) GSTP1TSHRALDH1A1CYP2C19TP53
SCHEMBL5496671 0.76 GSTP1 (1.00) GSTP1TSHRALDH1A1CYP2C19TP53
SCHEMBL1682390 0.75 ALDH1A1 (0.38) TSHRALDH1A1ALOX15HTTMAPT
SCHEMBL13715203 0.75 GSTP1 (0.59) GSTP1CYP2C19TP53ALOX15CYP3A4
SCHEMBL13715186 0.74 GSTP1 (0.58) GSTP1TSHRCYP2C19TP53ALOX15
Ethylene SCHEMBL12478059 0.74 ALDH1A1 (0.37) TSHRALDH1A1ALOX15HTTMAPT

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
US-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors MARYLAND, UNIVERSITY OF, BALTIMORE COUNTY 2007-12-13 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-20070287672-A1 Macromolecular Gsh-Activiated Glyoxylase I Inhibitors GLO1, GGT1, GSTA1 GSTP1 4/4885TSHR 4634/4885ALDH1A1 948/4885

“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.