SCHEMBL26035583

SCHEMBL26035583

CCCN(CC(=O)OC(C)(C)C)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NR1D1 P20393 4/20 0.32
NR1H3 Q13133 1/20 0.32
NR1I3 Q14994 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
SCHEMBL6700697 0.90 CA12 (0.43) CA12CA1CA7CA14CA2
SCHEMBL21566414 0.87 NR1D1 (0.33) CA12CA1CA7CA14NR1D1
SCHEMBL26035581 0.85 ALOX15 (0.33) CA12CA1CA7CA14NR1D1
SCHEMBL16558068 0.84 CA12 (0.39) CA12CA1CA7CA14CA9
SCHEMBL16558064 0.81 DNM1 (0.39) CA12CA1CA7CA14
SCHEMBL16087987 0.81 NR1D1 (0.32) NR1D1NR1H3
SCHEMBL16558063 0.80 CA12 (0.36) CA12CA1CA7CA14CA2
SCHEMBL437106 0.80 TDP1 (0.48) CA1CA2NR1D1
SCHEMBL27420033 0.80 NR1D1 (0.38) CA12CA1CA7CA14CA2
SCHEMBL23711054 0.79 CA12 (0.36) CA12CA1CA7CA14NR1D1

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-11731960-B2 Biheterocyclic compound Sumitomo Pharma Co., Ltd. (JP) 2023-08-22 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-11731960-B2 Biheterocyclic compound NR4A3, NGF, OGFR CA12 3634/4885CA1 2806/4885CA7 3136/4885

“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.