SCHEMBL862561

SCHEMBL862561

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
LTB4R Q15722 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
TERT O14746 1/20 0.31
MEN1 O00255 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 2/20 0.30
AGER Q15109 1/20 0.30
LMNA P02545 1/20 0.30
HCRTR2 O43614 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
SCHEMBL9966494 0.88 TERT (0.30) TERT
SCHEMBL862173 0.85 PPARG (0.35) PPARGPPARAACHELMNAHCRTR2
SCHEMBL10050328 0.81 TERT (0.31) TERT
SCHEMBL12060741 0.79 PPARG (0.32) PPARGPPARA
SCHEMBL878934 0.79 PPARG (0.32) PPARGPPARA
SCHEMBL862172 0.78 APP (0.34) HCRTR2
SCHEMBL4496064 0.74 APP (0.35) PPARGPPARAMEN1KMT2AHCRTR2
SCHEMBL12060501 0.74 APP (0.33)
SCHEMBL878957 0.74 APP (0.33) ACHE
SCHEMBL841485 0.72 ACHE (0.33) CYP3A4ACHE

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 5 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-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

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 PPARG 4192/4885PPARA 3164/4885LTB4R 4216/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 PPARG 4192/4885PPARA 3164/4885LTB4R 4216/4885

“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.