SCHEMBL4059189

SCHEMBL4059189

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HTR2B P41595 3/20 0.42
HTR7 P34969 2/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL4059193 0.93 PNMT (0.50) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL19384366 0.92 RAB9A (0.50) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL4064230 0.90 PNMT (0.45) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL5497718 0.90 PNMT (0.53) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL8474155 0.89 PNMT (0.51) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL4839271 0.89 PNMT (0.51) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6502789 0.88 PNMT (0.54) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL1830397 0.88 PNMT (0.57) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL6849876 0.87 PNMT (0.50) PNMTRAB9ANPC1HTR2BHTR7
SCHEMBL31633620 0.87 PNMT (0.53) PNMTRAB9ANPC1HTR2BHTR7

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

“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.