SCHEMBL8513005

SCHEMBL8513005

CC(C)CC(C(=O)O)n1ccc(Oc2cccc3ccccc23)cc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MCL1 Q07820 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
PSMB5 P28074 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.85 MCL1 (0.41) MCL1KMT2A
SCHEMBL8515253 0.85 KMT2A (0.51) CARM1PRMT6MCL1ALDH1A1KMT2A
SCHEMBL8515249 0.84 LPAR1 (0.41) CARM1PRMT6MCL1KMT2A
SCHEMBL8515246 0.84 MCL1 (0.41) MCL1KMT2AMEN1LMNAPOLB
SCHEMBL8512988 0.84 MCL1 (0.41) MCL1KMT2A
SCHEMBL8514936 0.84 MCL1 (0.53) MCL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL8515261 0.83 MCL1 (0.40) BCL2L1MCL1KDM4EALDH1A1TDP1
SCHEMBL935524 0.83 HIF1A (0.40) MCL1TDP1KMT2A
SCHEMBL958871 0.82 GCK (0.44) BCL2L1CARM1PRMT6PSMB5ALDH1A1
SCHEMBL8516017 0.82 PPARG (0.40) MCL1KMT2A

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 claimed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US 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 BCL2L1 3845/4885CARM1 4132/4885PRMT6 1508/4885

“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.