SCHEMBL3477183

SCHEMBL3477183

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(Br)cc(CN(CCc2ccc(N)cc2)Cc2cc(Br)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.34
NR1H3 Q13133 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADRB3 P13945 1/20 0.33
AKT1 P31749 1/20 0.32
ESRRG P62508 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL18674519 0.95 NR1D1 (0.32) NR1D1NR1H3L3MBTL1ADRB3
SCHEMBL5007664 0.84 NR1D1 (0.36) NR1D1NR1H3AKT1
SCHEMBL18979341 0.81 NR1D1 (0.35) NR1D1NR1H3AKT1
SCHEMBL17200937 0.81 NR1D1 (0.35) NR1D1NR1H3AKT1
SCHEMBL3398146 0.79 PPARG (0.30) L3MBTL1
SCHEMBL26885902 0.78 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL10367552 0.77 ACACB (0.37) NR1D1NR1H3
SCHEMBL6027858 0.76 NR1D1 (0.34) NR1D1NR1H3
SCHEMBL17200916 0.75 ACACB (0.35) NR1D1NR1H3
SCHEMBL15618181 0.75 ACACB (0.35) NR1D1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10365286-B2 Chromophoric structures for lanthanide chelates RADIOMETER TURKU OY (FI) 2019-07-30 US disclosed
EP-3137573-B1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES FIELD OF THE INVENTION RADIOMETER TURKU OY (FI) 2018-08-01 EP disclosed
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 US disclosed
US-8216856-B2 Luminescent lanthanide labelling reagents and their use ABACUS DIAGNOSTICA OY (FI) 2012-07-10 US disclosed
EP-1658282-B1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2010-10-27 EP disclosed
EP-1658282-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2006-05-24 EP disclosed
US-20050084451-A1 Novel chelating agents and chelates and their use WALLAC OY 2005-04-21 US disclosed
WO-2005021538-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2005-03-10 WO 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-20050084451-A1 Novel chelating agents and chelates and their use DNPEP, CNBP, CLTA NR1D1 4298/4885NR1H3 4286/4885L3MBTL1 1735/4885

“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.