SCHEMBL3433647

SCHEMBL3433647

COc1cc(OC)c(-c2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc3ccc(N=C=S)cc3)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)c(OC)c1.COc1cc(OC)c(-c2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc3ccc(N=C=S)cc3)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)c(OC)c1.COc1cc(OC)c(-c2cc(CN(CC(=O)[O-])CC(=O)[O-])nc(CN(CCc3ccc(N=C=S)cc3)Cc3cc(-c4c(OC)cc(OC)cc4OC)cc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)c(OC)c1.[Er+3].[Er+3].[Er+3].[Er+3]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
P2RY6 Q15077 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NAAA Q02083 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
BMP1 P13497 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 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
SCHEMBL3433506 0.86 LPAR1 (0.35) L3MBTL1PPARD
SCHEMBL18628115 0.78 LPAR1 (0.37) L3MBTL1PPARGPPARDPPARAMAPT
SCHEMBL3433166 0.77 LPAR1 (0.31)
SCHEMBL3434668 0.73 LPAR1 (0.37) L3MBTL1PPARD
SCHEMBL9356167 0.72 P2RY6 (0.44) P2RY6TSHRMEN1KMT2ATDP1
SCHEMBL890271 0.68 HSD17B10 (0.34) KEAP1NFE2L2P2RY6
SCHEMBL4598913 0.68 P2RY6 (0.50) P2RY6PPARGPPARAMEN1KMT2A
SCHEMBL862173 0.67 PPARG (0.35) KEAP1NFE2L2ALDH1A1KDM4ETSHR
SCHEMBL8548578 0.64 CTSA (0.45) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL480490 0.63 P2RY6 (0.39) P2RY6PPARGPPARDPPARATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed
US-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-04-01 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 (1 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-20100081211-A1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE SCLY, SRM, TST L3MBTL1 60/4885KEAP1 3856/4885NFE2L2 3434/4885

“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.