SCHEMBL5007664

SCHEMBL5007664

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(Br)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 6/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
NR1H3 Q13133 1/20 0.35
GSTO1 P78417 1/20 0.33
LCK P06239 1/20 0.33
AKT1 P31749 1/20 0.33
PPARG P37231 1/20 0.32
CCR6 P51684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
STING1 Q86WV6 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SSTR4 P31391 1/20 0.31
CALCA P06881 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
SCHEMBL17200937 0.94 NR1D1 (0.35) NR1D1MTNR1AMTNR1BNR1H3GSTO1
SCHEMBL18979341 0.94 NR1D1 (0.35) NR1D1MTNR1AMTNR1BNR1H3GSTO1
SCHEMBL26885902 0.93 NR1D1 (0.33) NR1D1MTNR1AMTNR1BNR1H3GSTO1
SCHEMBL6027858 0.91 NR1D1 (0.34) NR1D1MTNR1AMTNR1BNR1H3LCK
SCHEMBL9356026 0.85 NR1D1 (0.36) NR1D1NR1H3GSTO1AKT1
SCHEMBL10367811 0.85 NR1D1 (0.36) NR1D1MTNR1AMTNR1BNR1H3GSTO1
SCHEMBL3477183 0.84 NR1D1 (0.34) NR1D1NR1H3AKT1
SCHEMBL5004491 0.81 NR1D1 (0.34) NR1D1NR1H3GSTO1ALDH1A1GLA
SCHEMBL18674519 0.80 NR1D1 (0.32) NR1D1NR1H3
SCHEMBL5004256 0.78 GABRA5 (0.37) NR1D1NR1H3GSTO1ALDH1A1GLA

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 11 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-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 US disclosed
US-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2008-12-11 US disclosed
EP-1848466-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-31 EP disclosed
WO-2006080022-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 WO disclosed
EP-0967205-B1 Labeling reactants and their use WALLAC OY (FI) 2003-09-17 EP disclosed
US-6080839-A FOR LABELING OF A BIOSPECIFIC BINDING REACTANT USING SOLID-PHASE SYNTHESIS; LANTHANIDE CHELATES WALLAC OY (FI) 2000-06-27 US disclosed
EP-0967205-A1 Labeling reactants and their use WALLAC OY (FI) 1999-12-29 EP disclosed
EP-0578067-A1 Photochemical labeling of nucleic acids with europium-chelating reagents and their use in gene probe systems BAYER AG (DE) 1994-01-12 EP 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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors TFRC, FOLR1, CD14 NR1D1 1804/4885MTNR1A 1118/4885MTNR1B 1664/4885

“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.