SCHEMBL19016239

SCHEMBL19016239

CC(C)(C)OC(=O)CNCCNCCN(CCNCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA14 Q9ULX7 3/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA2 P00918 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TOP2A P11388 1/20 0.30
NR1D1 P20393 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
SCHEMBL8019850 0.97 MAOA (0.35) MAOAMAOBCA14CA12CA1
SCHEMBL13427909 0.97 MAOA (0.36) MAOAMAOBCA14CA12CA1
SCHEMBL440219 0.94 MAOA (0.35) MAOAMAOBCA14CA12CA1
SCHEMBL6536011 0.93 MAOA (0.36) MAOAMAOBCA14CA12CA1
SCHEMBL22234380 0.91 MAOA (0.33) MAOAMAOBCA14CA12CA1
SCHEMBL23130694 0.90 NR1D1 (0.34) MAOAMAOBCA14CA12CA1
SCHEMBL18636575 0.89 MAOA (0.35) MAOAMAOB
SCHEMBL23130697 0.88 TDP1 (0.34) MAOAMAOBCA14CA12CA1
SCHEMBL7745466 0.88 NR1D1 (0.34) MAOAMAOBCA14CA12CA1
SCHEMBL25477299 0.88 MAOA (0.32) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233714-A1 NOVEL GADOLINIUM-BASED COMPOUND, METHOD FOR PRODUCING SAME, AND MRI CONTRAST AGENT CONTAINING SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2023-07-27 US disclosed
WO-2021198229-A1 SELECTIVE GIP RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING AND THERAPY PURPOSES ANTAROS MEDICAL AB (SE) 2021-10-07 WO disclosed
EP-3389697-B1 SELECTIVE GLUCAGON RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING PURPOSES ANTAROS MEDICAL AB (SE) 2020-12-16 EP disclosed
WO-2019182395-A1 COMPOUND HAVING NOVEL STRUCTURE, ANTI-INFLAMMATORY AGENT COMPRISING SAME, AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING SAME 장용민 2019-09-26 WO disclosed
WO-2017102613-A1 SELECTIVE GLUCAGON RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING PURPOSES SANOFI (FR) 2017-06-22 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-20230233714-A1 NOVEL GADOLINIUM-BASED COMPOUND, METHOD FOR PRODUCING SAME, AND MRI CONTRAST AGENT CONTAINING SAME GLRX3, GMNN, GRM2 MAOA 2779/4885MAOB 2634/4885CA14 427/4885

“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.