SCHEMBL936400

SCHEMBL936400

COC(=O)C(CC(C)C)n1ccc(O)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.40
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
MCL1 Q07820 2/20 0.34
ADAM17 P78536 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15867762 0.81 PTGS2 (0.38) ALDH1A1NPC1TP53MAPTPTGS2
SCHEMBL935579 0.80 MAPK14 (0.48) ADAM17
SCHEMBL935985 0.74 HIF1A (0.39) GCKTP53MAPTMCL1
SCHEMBL31629150 0.73 LMNA (0.38) ALDH1A1TAS1R3TAS1R1KDM4EHPGD
SCHEMBL21459642 0.73 SMAD3 (0.40) GCKALDH1A1TP53MAPTMCL1
SCHEMBL31628912 0.72 F11 (0.39) ALDH1A1MCL1
SCHEMBL31629178 0.72 F11 (0.35) TAS1R3TAS1R1MCL1
SCHEMBL24929758 0.71 ELANE (0.38) ALDH1A1TP53MAPTTAS1R3TAS1R1
SCHEMBL25656374 0.71 NPSR1 (0.37) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL25728203 0.71 NPSR1 (0.37) ALDH1A1NPC1RAB9ATP53MAPT

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
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 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 (2 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885ALDH1A1 902/4885NPC1 4180/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD GCK 1/4885ALDH1A1 902/4885NPC1 4180/4885

“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.