SCHEMBL841485

SCHEMBL841485

COc1cc(OC)c(-c2cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CCCCCCN)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n3)c2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
NR1D1 P20393 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HTT P42858 1/20 0.30
CTSL P07711 1/20 0.30
STING1 Q86WV6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ACAT1 P24752 1/20 0.30
SOAT1 P35610 1/20 0.30

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
SCHEMBL842343 0.81 APP (0.33) NR1D1CTSL
SCHEMBL862345 0.81
SCHEMBL862173 0.78 PPARG (0.35) ACHEHTTKDM4ETSHR
SCHEMBL842297 0.73 HCRTR2 (0.35) KDM4ETSHR
SCHEMBL878934 0.73 PPARG (0.32) HTTKDM4ETSHR
SCHEMBL12060741 0.73 PPARG (0.32) HTTKDM4ETSHR
SCHEMBL862172 0.72 APP (0.34)
SCHEMBL422349 0.71 CHRM2 (0.36) ACHENR1D1ALOX15
SCHEMBL4496064 0.70 APP (0.35) KDM4ETP53MAPTTSHR
SCHEMBL3810280 0.70 CXCR4 (0.47) MAPT

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 ACHE 2228/4885NR1D1 4441/4885MTNR1A 4232/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 ACHE 2228/4885NR1D1 4441/4885MTNR1A 4232/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 ACHE 2228/4885NR1D1 4441/4885MTNR1A 4232/4885

“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.