SCHEMBL4064230

SCHEMBL4064230

CC(C)(C)OC(=O)CC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTPRC P08575 2/20 0.37
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1B Q00975 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
NQO2 P16083 1/20 0.34
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL4059189 0.90 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL25265222 0.86 PNMT (0.39) PNMTNPC1RAB9APTPRCHTR7
SCHEMBL19384366 0.85 RAB9A (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27460619 0.85 PNMT (0.40) PNMTNPC1RAB9APTPRCHTR7
SCHEMBL27813798 0.84 PNMT (0.50) PNMTNPC1RAB9APTPRCHTR7
SCHEMBL4059193 0.84 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5557639 0.83 NQO2 (0.46) PNMTNPC1RAB9ADRD2NQO2
SCHEMBL27239133 0.83 PNMT (0.49) PNMTNPC1RAB9APTPRCHTR7
SCHEMBL6261588 0.82 PNMT (0.40) PNMTNPC1RAB9APTPRCHTR7
SCHEMBL27435707 0.82 PNMT (0.40) PNMTNPC1RAB9APTPRCHTR7

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 PNMT 3576/4885NPC1 3800/4885RAB9A 759/4885
US-20090298765-A1 Metastin derivatives and use thereof GNRHR, SHBG, MEN1 PNMT 3576/4885NPC1 3800/4885RAB9A 759/4885

“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.