SCHEMBL8515253

SCHEMBL8515253

COc1ccccc1Oc1ccn(C(CC(C)C)C(=O)O)c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MCL1 Q07820 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
BRD4 O60885 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
TNF P01375 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.38
ATM Q13315 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L2 Q92843 1/20 0.38

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
SCHEMBL8514582 0.88 MCL1 (0.41) KMT2AMCL1LPAR1LPAR5BCL2
SCHEMBL8515246 0.87 MCL1 (0.41) KMT2AMEN1MCL1L3MBTL1BCL2
SCHEMBL8515249 0.87 LPAR1 (0.41) KMT2AMCL1LPAR1LPAR5CARM1
SCHEMBL8512988 0.87 MCL1 (0.41) KMT2AMCL1LPAR1LPAR5BCL2
SCHEMBL8516044 0.87 HIF1A (0.42) KMT2AMCL1BCL2BCL2L2
SCHEMBL8514936 0.87 MCL1 (0.53) KMT2AMEN1ALDH1A1MCL1BCL2
SCHEMBL8515261 0.86 MCL1 (0.40) KMT2AHTTALDH1A1MAPTMCL1
SCHEMBL8513005 0.85 BCL2L1 (0.42) KMT2AMEN1ALDH1A1MCL1CARM1
SCHEMBL8516017 0.84 PPARG (0.40) KMT2AMCL1LPAR1LPAR5BCL2
SCHEMBL935524 0.83 HIF1A (0.40) KMT2AMCL1BCL2BCL2L2

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 6 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 claimed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US claimed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP claimed
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

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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KMT2A 3422/4885MEN1 2670/4885HTT 3606/4885

“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.