SCHEMBL4482157

SCHEMBL4482157

CC(C)(C)OC(=O)NCCCCC(C(=O)OC(C)(C)C)N(C=O)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 8/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 6/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4483601 0.81 APP (0.33)
SCHEMBL4480342 0.74 KDM4E (0.40) MEN1KMT2AGAATDP1MAPT
SCHEMBL27801425 0.70 CA12 (0.65) MEN1KMT2AGAATDP1POLB
SCHEMBL20038723 0.69 MEN1 (0.58) MEN1KMT2AGAATDP1ATM
SCHEMBL17661736 0.69 MEN1 (0.58) MEN1KMT2AGAATDP1ATM
SCHEMBL2202417 0.69 CA12 (0.66) MEN1KMT2AGAATDP1MAOA
SCHEMBL3160188 0.68 CA12 (0.64) MEN1KMT2AGAATDP1CA1
SCHEMBL3038307 0.68 TDP1 (0.49) MEN1KMT2AGAATDP1MAOA
SCHEMBL25942475 0.68 MEN1 (0.51) MEN1KMT2AGAATDP1NPSR1
SCHEMBL25942709 0.68 TDP1 (0.52) MEN1KMT2AGAATDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 MEN1 4347/4885KMT2A 1757/4885GAA 2869/4885

“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.