SCHEMBL25062869

SCHEMBL25062869

O=CC(=O)c1coc(-c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
HDAC1 Q13547 8/20 0.62
HDAC8 Q9BY41 8/20 0.62
HDAC6 Q9UBN7 8/20 0.62
PDE4B Q07343 3/20 0.54
PTPN1 P18031 1/20 0.43

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
SCHEMBL27768646 0.82 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL287420 0.82 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL6706804 0.79 ALDH1A1 (0.70) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL2866244 0.79 HDAC1 (0.71) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL893099 0.79 ALDH1A1 (1.00) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL167905 0.79 HDAC1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL1683862 0.78 ALDH1A1 (0.68) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL19382473 0.75 HDAC1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL2554554 0.75 HDAC1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL6386434 0.75 HDAC1 (0.65) ALDH1A1HDAC1HDAC8HDAC6PDE4B

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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 ALDH1A1 1721/4885HDAC1 2333/4885HDAC8 2791/4885

“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.