SCHEMBL842343

SCHEMBL842343

COc1ccc(C(NCCCCCCN(Cc2cc(-c3c(OC)cc(OC)cc3OC)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n2)Cc2cc(-c3c(OC)cc(OC)cc3OC)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NR1D1 P20393 1/20 0.32
HCRTR2 O43614 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CTSL P07711 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
SCHEMBL4496064 0.91 APP (0.35) APPHCRTR2SIGMAR1
SCHEMBL842297 0.81 HCRTR2 (0.35) HCRTR2
SCHEMBL841485 0.81 ACHE (0.33) NR1D1CTSL
SCHEMBL862345 0.73
SCHEMBL862173 0.72 PPARG (0.35) HCRTR2
SCHEMBL862172 0.71 APP (0.34) APPHCRTR2
SCHEMBL878957 0.67 APP (0.33) APP
SCHEMBL12060501 0.67 APP (0.33) APP
SCHEMBL12060741 0.67 PPARG (0.32)
SCHEMBL878934 0.67 PPARG (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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 (2 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 APP 3874/4885L3MBTL1 676/4885NR1D1 4441/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 APP 3874/4885L3MBTL1 676/4885NR1D1 4441/4885

“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.