SCHEMBL841839

SCHEMBL841839

COc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)NCCN)n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.COc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)NCCN)n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.COc1cc(OC)c(-c2cc(CN3CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)[O-])n4)CCN(Cc4cc(-c5c(OC)cc(OC)cc5OC)cc(C(=O)NCCN)n4)CC3)nc(C(=O)[O-])c2)c(OC)c1.[Dy+3].[Dy+3]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
DRD4 P21917 1/20 0.35
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 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
SCHEMBL862408 0.92 BCHE (0.38) MAPTBCHEACHEDRD4LMNA
SCHEMBL841840 0.91 BCHE (0.38) MAPTBCHEACHEDRD4LMNA
SCHEMBL840378 0.79 KMT2A (0.42) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL841572 0.77 GSK3B (0.37) MAPTBCHEACHEDRD3HTR1A
SCHEMBL842226 0.77 CHRM3 (0.36) BCHEACHEMCHR1ALDH1A1GAA
SCHEMBL841452 0.76 ACKR3 (0.40) MAPTLMNAALDH1A1
SCHEMBL842177 0.76 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1GAATDP1
SCHEMBL862402 0.74 MEN1 (0.41) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL14338918 0.74 KMT2A (0.34) BCHEACHEDRD4LMNAKMT2A
SCHEMBL862167 0.70 KDM4E (0.38) BCHEACHELMNADRD3HTR1A

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 7 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
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2005-08-18 US 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 MAPT 2705/4885BCHE 2054/4885ACHE 2228/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 MAPT 2705/4885BCHE 2054/4885ACHE 2228/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 MAPT 2705/4885BCHE 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.