SCHEMBL842297

SCHEMBL842297

COC(=O)CN(CC(=O)OC)Cc1cc(-c2c(OC)cc(OC)cc2OC)cc(CN(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)Cc2cc(-c3c(OC)cc(OC)cc3OC)cc(CN(CC(=O)OC)CC(=O)OC)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
MEP1B Q16820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TK2 O00142 2/20 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
SCHEMBL4496064 0.81 APP (0.35) HCRTR2KDM4EALDH1A1TSHR
SCHEMBL842343 0.81 APP (0.33) HCRTR2
SCHEMBL862173 0.74 PPARG (0.35) HCRTR2KDM4EALDH1A1TSHR
SCHEMBL841485 0.73 ACHE (0.33) KDM4ETSHR
SCHEMBL14922457 0.69 LTA4H (0.53) SLC6A1SLC6A11
SCHEMBL7902881 0.68 LTB4R (0.44) KDM4EALDH1A1
SCHEMBL10050328 0.67 TERT (0.31)
SCHEMBL23405523 0.67 BCHE (0.40) SLC6A1SLC6A11MAOAMAOB
SCHEMBL12005099 0.67 PDE4B (0.51) SLC6A1SLC6A11
SCHEMBL12004675 0.67 PDE4B (0.51) SLC6A1SLC6A11

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 HCRTR2 3495/4885SLC6A1 3642/4885SLC6A11 3244/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 HCRTR2 3495/4885SLC6A1 3642/4885SLC6A11 3244/4885
US-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 HCRTR2 3495/4885SLC6A1 3642/4885SLC6A11 3244/4885

“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.