SCHEMBL6350002

SCHEMBL6350002

Cc1cc(C#CC(C)(C)O)c(C)cc1C#CC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ASIC3 Q9UHC3 1/20 0.33
MAP3K14 Q99558 4/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
BTK Q06187 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31

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
SCHEMBL12391041 0.90 PGK1 (0.34) PGK1L3MBTL1
SCHEMBL6350024 0.82 PGK1 (0.41) PGK1L3MBTL1ASIC3MAP3K14LYN
SCHEMBL2206658 0.79 PGK1 (0.37) PGK1L3MBTL1TTBK1
SCHEMBL3586009 0.78 CASP1 (0.42) PGK1L3MBTL1ASIC3MAP3K14TTBK1
SCHEMBL14268119 0.76 TSHR (0.45) PGK1L3MBTL1ASIC3
SCHEMBL6355971 0.74 PGK1 (0.37) PGK1L3MBTL1ASIC3TTBK1
SCHEMBL15944033 0.71 AR (0.33) PGK1L3MBTL1ASIC3LYNSRC
SCHEMBL11209803 0.70 ASIC3 (0.39) L3MBTL1ASIC3MAP3K14TTBK1
SCHEMBL6351489 0.70 ACACB (0.41) PGK1L3MBTL1MAP3K14TTBK1
SCHEMBL15192867 0.70 PTPN11 (0.46)

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 PGK1 371/4885L3MBTL1 1426/4885ASIC3 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.