SCHEMBL6574775

SCHEMBL6574775

O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL1857061 0.91 FNTA (0.58) FNTAFNTBMAPTLMNAALDH1A1
SCHEMBL27535041 0.86 MAPT (0.62) FNTAFNTBMAPTLMNAKDM4E
SCHEMBL7267166 0.83 FNTA (0.47) FNTAFNTBALDH1A1KMT2AMEN1
SCHEMBL11037858 0.81 GABBR2 (0.62) FNTAFNTBMAPTLMNAALDH1A1
SCHEMBL7139968 0.79 MAPT (0.67) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9541616 0.79 GABBR2 (0.61) FNTAFNTBMAPTKDM4EALDH1A1
SCHEMBL6474872 0.79 KMT2A (0.56) FNTAFNTBMAPTLMNAKDM4E
SCHEMBL657290 0.79 GABBR2 (0.61) FNTAFNTBMAPTKDM4EALDH1A1
SCHEMBL10993390 0.78 FNTA (0.53) FNTAFNTBMAPTALDH1A1KMT2A
SCHEMBL657719 0.78 FNTA (0.50) FNTAFNTBMAPTLMNAKMT2A

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-0777498-B1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AG (DE) 2004-04-28 EP disclosed
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
US-6113880-A Polyrotaxane derivatives for x-ray and nuclear magnetic resonance imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0777498-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
EP-0770146-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-02 EP disclosed
WO-1996002274-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed
WO-1996002669-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 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-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION DCLRE1B, RNASE1, DCLRE1A FNTA 2713/4885FNTB 2192/4885MAPT 3345/4885

“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.