SCHEMBL6348972

SCHEMBL6348972

CC(C)(O)C#Cc1c(C#CC(C)(C)O)c(C#CC(C)(C)O)c(C#CC(C)(C)O)c(C#CC(C)(C)O)c1C#CC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 2/20 0.33
ASIC3 Q9UHC3 1/20 0.31
PGK1 P00558 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
SCHEMBL9775441 0.83 L3MBTL1 (0.33) L3MBTL1ATM
SCHEMBL6355971 0.83 PGK1 (0.37) L3MBTL1ATMASIC3PGK1
SCHEMBL9775432 0.77 L3MBTL1 (0.31) L3MBTL1
SCHEMBL20455632 0.74 L3MBTL1 (0.37) L3MBTL1ATMASIC3PGK1
SCHEMBL190199 0.73 ALDH1A1 (0.33) L3MBTL1
SCHEMBL6350024 0.73 PGK1 (0.41) L3MBTL1ATMASIC3PGK1
SCHEMBL12391039 0.73 ASIC3 (0.50) L3MBTL1ATMASIC3
SCHEMBL487465 0.68 MAPT (0.56) L3MBTL1ASIC3
SCHEMBL11267670 0.68 L3MBTL1 (0.67) L3MBTL1ATMASIC3
SCHEMBL417933 0.67 ALDH1A1 (0.41)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB L3MBTL1 1426/4885ATM 1204/4885ASIC3 4832/4885

“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.