SCHEMBL4064231

SCHEMBL4064231

CC(C)(C)OC(=O)CC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
CASP3 P42574 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL29616475 0.85 KMT2A (0.54) KMT2AEPHX2CASP3
SCHEMBL18982241 0.85 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL19931854 0.85 KMT2A (0.54) KMT2AEPHX2CASP3
SCHEMBL4690513 0.84 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL23014550 0.83 KMT2A (0.44) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL25190907 0.82 KMT2A (0.47) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL3630096 0.82 KMT2A (0.48) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL3888794 0.82 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL26172640 0.82 KMT2A (0.60) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL18411293 0.82 KMT2A (0.55) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-20090298765-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-03 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 KMT2A 1848/4885EPHX2 3564/4885FABP5 2485/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 KMT2A 1848/4885EPHX2 3564/4885FABP5 2485/4885

“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.