SCHEMBL4285502

SCHEMBL4285502

COC(CC1=CCCC1=O)OC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GSTP1 P09211 2/20 0.34
CYP1A2 P05177 1/20 0.30
MPO P05164 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
SCHEMBL6902367 0.78 PTPN1 (0.34) ALDH1A1GSTP1CYP1A2
SCHEMBL11733124 0.71 ALDH1A1 (0.33) ALDH1A1GSTP1
SCHEMBL1340149 0.70
SCHEMBL29008399 0.69 GSTP1 (0.35) GSTP1
SCHEMBL17866738 0.68 TDP1 (0.41) GSTP1CYP1A2
SCHEMBL6902175 0.68 GSTP1 (0.31) GSTP1
SCHEMBL11763707 0.68 GSTP1 (0.53) ALDH1A1GSTP1
SCHEMBL28602056 0.67 GSTP1 (0.40) GSTP1
SCHEMBL1044406 0.67
SCHEMBL11211634 0.67 GSTP1 (0.45) 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-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-06-18 US disclosed
WO-2005092324-A1 GINKGOLIDE COMPOUNDS, COMPOSITIONS, EXTRACTS, AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-10-06 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-20090156668-A1 Ginkgolide Compounds, Compositions, And Extracts, And Uses Thereof PYGB, NLN, GRIN3B ALDH1A1 3738/4885GSTP1 914/4885CYP1A2 2279/4885

“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.