SCHEMBL25453034

SCHEMBL25453034

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
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
SCHEMBL19458 0.80 TDP1 (0.42) CYP2D6CA12CA1CA7CA14
SCHEMBL5551672 0.77 CYP2D6 (0.35) CYP2D6CA12CA1CA7CA14
SCHEMBL13819420 0.76 LMNA (0.33) CYP2D6CA1CA7NR1D1
SCHEMBL18495534 0.75 TDP1 (0.44) CA12CA1CA7CA14
SCHEMBL4338603 0.74 CYP2D6 (0.34) CYP2D6CA12CA1CA7CA14
SCHEMBL16315898 0.74 CA12 (0.36) CA12CA1CA7CA14
SCHEMBL7567960 0.74 CHRM2 (0.37) CA12CA1CA7CA14NR1D1
SCHEMBL992084 0.74 TDP1 (0.58) CA1NR1D1
SCHEMBL29484958 0.74 CA14 (0.38) CYP2D6CA12CA1CA7CA14
SCHEMBL438113 0.74 TDP1 (0.58) CA1NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING THE ASAN FOUNDATION (KR) 2023-05-11 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-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING SERPINC1, F3, F11 CYP2D6 3603/4885CA12 683/4885CA1 626/4885

“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.