SCHEMBL25070407

SCHEMBL25070407

Cn1cc2c(cc1=O)CC(C)(C(C)(C)C)O2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CREBBP Q92793 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
SCHEMBL18469535 0.68 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL23304889 0.67 — —
SCHEMBL18469484 0.67 AKR1B1 (0.39) —
SCHEMBL18469498 0.65 CYP2D6 (0.37) ALDH1A1
SCHEMBL25070406 0.65 CYP2D6 (0.37) ALDH1A1
SCHEMBL18469509 0.65 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL23305874 0.64 HDAC3 (0.30) —
SCHEMBL25070436 0.64 — —
SCHEMBL18474240 0.64 AKR1B1 (0.36) —
SCHEMBL21361976 0.57 ATAD2 (0.37) ATAD2KDM4EALDH1A1

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-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 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-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, ST6GAL1 ATAD2 2288/4885KDM4E 4605/4885ALDH1A1 200/4885

“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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