SCHEMBL4496064

SCHEMBL4496064

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
HCRTR2 O43614 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL842343 0.91 APP (0.33) APPSIGMAR1HCRTR2
SCHEMBL842297 0.81 HCRTR2 (0.35) HCRTR2KDM4EALDH1A1TSHR
SCHEMBL862173 0.80 PPARG (0.35) HCRTR2PPARGPPARAKDM4EALDH1A1
SCHEMBL862172 0.79 APP (0.34) APPHCRTR2
SCHEMBL878934 0.75 PPARG (0.32) PPARGPPARAKDM4EALDH1A1TSHR
SCHEMBL12060741 0.75 PPARG (0.32) PPARGPPARAKDM4EALDH1A1TSHR
SCHEMBL12060501 0.75 APP (0.33) APP
SCHEMBL878957 0.75 APP (0.33) APP
SCHEMBL862561 0.74 PPARG (0.33) HCRTR2PPARGPPARAMEN1KMT2A
SCHEMBL3265800 0.71 CYP1A2 (0.45) SIGMAR1KDM4E

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
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 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 (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-20050181393-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 APP 3874/4885SIGMAR1 2323/4885HCRTR2 3495/4885

“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.