SCHEMBL21392316

SCHEMBL21392316

CCOC(=O)CN(CCNCC(=O)OC(C)(C)C)CCN(CCNCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 4/20 0.34
TOP2A P11388 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.33
MAOA P21397 1/20 0.31

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
SCHEMBL18760266 0.91 ALDH1A1 (0.36) CA12CA1CA2CA9GAA
SCHEMBL440219 0.90 MAOA (0.35) CA12CA1CA2TOP2ACYP2C19
SCHEMBL13427909 0.90 MAOA (0.36) CA12CA1CA2TOP2AMAOA
SCHEMBL22234380 0.87 MAOA (0.33) CA12CA1TOP2AMAOAMAOB
SCHEMBL19016239 0.87 MAOA (0.35) CA12CA1CA2TOP2AMAOA
SCHEMBL6536011 0.87 MAOA (0.36) CA12CA1CA2TOP2AMAOA
SCHEMBL19661282 0.85 CA1 (0.44) CA12CA1CA2CA9GAA
SCHEMBL12191719 0.85 CA12 (0.44) CA12CA1CA2CA9GAA
SCHEMBL25477299 0.84 MAOA (0.32) MAOAMAOB
SCHEMBL14524031 0.84 MAOA (0.35) 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 2 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-2019182395-A1 COMPOUND HAVING NOVEL STRUCTURE, ANTI-INFLAMMATORY AGENT COMPRISING SAME, AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING SAME 장용민 2019-09-26 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 CA12 267/4885CA1 87/4885CA2 346/4885

“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.