SCHEMBL23610090

SCHEMBL23610090

CC(C)(C)OC(=O)C(CCBr)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ NOS1 P29475 2/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL23610091 1.00 HDAC6 (0.32) HDAC6HDAC1HDAC2NOS1NOS3
SCHEMBL30759373 0.90 HDAC1 (0.33) HDAC6HDAC1HDAC2
SCHEMBL30759361 0.85 AAK1 (0.37) HDAC6HDAC1HDAC2
SCHEMBL17369159 0.84 CA1 (0.37) HDAC6HDAC1HDAC2NOS1NOS3
SCHEMBL23610157 0.84 HDAC6 (0.36) HDAC6HDAC1HDAC2NOS1NOS3
SCHEMBL16379305 0.84 CA1 (0.37) HDAC6HDAC1HDAC2NOS1NOS3
SCHEMBL21301754 0.82 NOS1 (0.31) NOS1NOS3NOS2
SCHEMBL17614514 0.81 HDAC1 (0.31) HDAC6HDAC1HDAC2
SCHEMBL17614515 0.81 CA2 (0.40) HDAC6HDAC1HDAC2
SCHEMBL21685040 0.81 TDP1 (0.37) HDAC6HDAC1HDAC2

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-11518779-B2 Inhibitors of DNMT1 as anticancer therapeutic agents VICTORIA LINK LIMITED (NZ) 2022-12-06 — — US disclosed
US-20210206795-A1 INHIBITORS OF DNMT1 AS ANTICANCER THERAPEUTIC AGENTS VICTORIA LINK LTD (NZ) 2021-07-08 — — 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 (2 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-11518779-B2 Inhibitors of DNMT1 as anticancer therapeutic agents DNMT1, DNMT3A, DNMT3B HDAC6 215/4885HDAC1 33/4885HDAC2 135/4885
US-20210206795-A1 INHIBITORS OF DNMT1 AS ANTICANCER THERAPEUTIC AGENTS DNMT1, DNMT3B, DNMT3A HDAC6 116/4885HDAC1 18/4885HDAC2 73/4885

“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.

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