SCHEMBL25690970

SCHEMBL25690970

O=C1CCC(N2C(=O)c3ccc(OCCCCCOc4ccc([N+](=O)[O-])cn4)cc3C2=O)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.63
▸ DDB1 Q16531 14/20 0.63
▸ ALDH1A1 P00352 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ IKZF3 Q9UKT9 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42

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
SCHEMBL25691391 0.92 CRBN (0.52) CRBNDDB1ALDH1A1IRAK4MAPT
SCHEMBL29822107 0.87 CRBN (0.52) CRBNDDB1MAPT
SCHEMBL23117834 0.87 CRBN (0.52) CRBNDDB1MAPT
SCHEMBL23117833 0.87 CRBN (0.52) CRBNDDB1MAPT
SCHEMBL28978398 0.87 CRBN (0.52) CRBNDDB1MAPT
SCHEMBL23117953 0.86 CRBN (0.51) CRBNDDB1MAPTBRD9
SCHEMBL23117951 0.86 CRBN (0.51) CRBNDDB1MAPTBRD9
SCHEMBL29821855 0.86 CRBN (0.51) CRBNDDB1MAPTBRD9
SCHEMBL28978411 0.86 CRBN (0.51) CRBNDDB1MAPTBRD9
SCHEMBL25691118 0.86 CRBN (0.54) CRBNDDB1IKZF3BRD9

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-20230150973-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2023-05-18 — — 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-20230150973-A1 NOVEL UREAS HAVING ANDROGEN RECEPTOR DEGRADATION ACTIVITY AND USES THEREOF AR, UTS2R, ESRRA CRBN 1041/4885DDB1 1112/4885ALDH1A1 304/4885

“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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