SCHEMBL841572

SCHEMBL841572

CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)cc(CN2CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)NCCNC(=O)C(F)(F)F)n3)CCN(Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(C(=O)OCC)n3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
P2RY12 Q9H244 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM4 P08173 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL842226 0.87 CHRM3 (0.36) BCHEACHEMTNR1AMTNR1BALDH1A1
SCHEMBL842177 0.86 ALDH1A1 (0.41) GSK3BTHRBPOLBHPGDNPSR1
SCHEMBL841452 0.86 ACKR3 (0.40) MAPTALDH1A1FGFR1
SCHEMBL862163 0.84 GSK3B (0.35) GSK3BBCHEACHEP2RY12MAPT
SCHEMBL842259 0.82 MTNR1A (0.38) MTNR1AMTNR1BFGFR1FGFR2FGFR4
SCHEMBL842312 0.81 MTNR1A (0.37) MTNR1AMTNR1BFGFR1FGFR2FGFR4
SCHEMBL862408 0.78 BCHE (0.38) BCHEACHEMAPTPOLBALDH1A1
SCHEMBL841840 0.77 BCHE (0.38) BCHEACHEMAPTPOLBALDH1A1
SCHEMBL841839 0.77 MAPT (0.36) BCHEACHEMAPTALDH1A1TDP1
SCHEMBL14338914 0.76 DRD2 (0.37) GSK3BBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
EP-1694672-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2006-08-30 EP disclosed
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US disclosed
WO-2005058877-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2005-06-30 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 (3 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 GSK3B 4852/4885BCHE 2054/4885ACHE 2228/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 GSK3B 4852/4885BCHE 2054/4885ACHE 2228/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 GSK3B 4852/4885BCHE 2054/4885ACHE 2228/4885

“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.