SCHEMBL22857769

SCHEMBL22857769

NCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.46
▸ IKZF3 Q9UKT9 6/20 0.46
▸ DDB1 Q16531 6/20 0.45
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ TNF P01375 4/20 0.40
▸ STAT3 P40763 1/20 0.39
▸ IL1B P01584 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ IKZF1 Q13422 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39

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
SCHEMBL24818018 0.87 CRBN (0.48) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL22243534 0.85 CRBN (0.56) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL19541974 0.83 CRBN (0.49) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL21906782 0.83 CRBN (0.46) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL20759933 0.82 CRBN (0.45) CRBNIKZF3DDB1TNFIL1B
SCHEMBL21897792 0.82 CRBN (0.46) CRBNIKZF3DDB1
SCHEMBL19453082 0.82 HDAC3 (0.41) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL30733869 0.80 HDAC1 (0.41) CRBNIKZF3DDB1HDAC3HDAC1
SCHEMBL16223943 0.80 CRBN (0.58) CRBNIKZF3DDB1TNFIL1B
SCHEMBL20760681 0.80 ATM (0.44) CRBNIKZF3DDB1

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-20210002289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION UNIV MICHIGAN REGENTS (US) 2021-01-07 — — 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-20210002289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION MDM2, CD74, TNFSF10 CRBN 151/4885IKZF3 231/4885DDB1 313/4885

“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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