SCHEMBL862173

SCHEMBL862173

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
TLR7 Q9NYK1 2/20 0.33
FGFR1 P11362 2/20 0.33
KDR P35968 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
GYS1 P13807 1/20 0.32
CNR2 P34972 1/20 0.32
CTSA P10619 1/20 0.32
HCRTR2 O43614 1/20 0.32
ACHE P22303 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12060741 0.93 PPARG (0.32) PPARGPPARATLR7FGFR1KDR
SCHEMBL878934 0.93 PPARG (0.32) PPARGPPARATLR7FGFR1KDR
SCHEMBL862561 0.85 PPARG (0.33) PPARGPPARALMNAHCRTR2ACHE
SCHEMBL862172 0.85 APP (0.34) HCRTR2
SCHEMBL4496064 0.80 APP (0.35) PPARGPPARAKDM4EALDH1A1TSHR
SCHEMBL12060501 0.80 APP (0.33)
SCHEMBL878957 0.80 APP (0.33) ACHE
SCHEMBL841485 0.78 ACHE (0.33) KDM4ETSHRACHEHTT
SCHEMBL862393 0.78 BCHE (0.35) PPARGPPARAKDM4ETSHRLMNA
SCHEMBL8548578 0.74 CTSA (0.45) KDM4EALDH1A1CTSA

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 6 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-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 3164/4885TLR7 3167/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 PPARG 4192/4885PPARA 3164/4885TLR7 3167/4885

“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.