SCHEMBL2808054

SCHEMBL2808054

O=C([O-])c1cccc2c1Cc1ccccc1O2.O=C([O-])c1cccc2c1Cc1ccccc1O2.[Pt+2]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
ACSL1 P33121 1/20 0.35
ALOX5 P09917 1/20 0.35
TRPA1 O75762 3/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6404019 0.98 MAOA (0.50) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL8797356 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL7613593 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6228093 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL11409820 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6906279 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL729661 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL2974202 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL5050436 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL221841 0.97 MAOA (0.48) MAOAMAOBKDM4EALDH1A1HPGD

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
US-5068375-A Substituted noble metal xanthates EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-11-26 US claimed
US-8435966-B2 Associations of xanthogenates and cyclodextrins, and their use BIOSPHINGS AG (DE) 2013-05-07 US disclosed
US-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2010-09-23 US disclosed
EP-2001840-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BioSphings AG (DE) 2008-12-17 EP disclosed
WO-2007112828-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE BIOSPHINGS AG (DE) 2007-10-11 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-20100240606-A1 ASSOCIATIONS OF XANTHOGENATES AND CYCLODEXTRINS, AND THEIR USE HLA-DRB1, CXCR3, ANTXR2 MAOA 3881/4885MAOB 4358/4885KDM4E 3436/4885

“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.