SCHEMBL23056372

SCHEMBL23056372

COc1ccc(C(OC[C@@H](OC)[C@@H](O)Cn2cnc3c(NC(=O)c4ccccc4)ncnc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ P2RY1 P47900 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ TMIGD3 P0DMS9 2/20 0.37
▸ ADORA3 P0DMS8 5/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL16198031 0.90 HDAC1 (0.47) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL16038513 0.88 HDAC1 (0.46) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL16041215 0.88 HDAC1 (0.46) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL21873559 0.83 HDAC1 (0.42) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL21873561 0.83 HDAC1 (0.42) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL29259454 0.82 CCNB2 (0.42) HDAC1HDAC6FLT4KDREGFR
SCHEMBL16039838 0.82 HDAC1 (0.42) HDAC1HDAC6FLT4KDRP2RY1
SCHEMBL29259736 0.82 CDK5 (0.44) HDAC1HDAC6EGFRERBB3TMIGD3
SCHEMBL38651357 0.79 HDAC1 (0.39) HDAC1HDAC6FLT4KDREGFR
SCHEMBL31314694 0.78 CDK5 (0.37) HDAC1HDAC6KDREGFRERBB3

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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R HDAC1 2622/4885HDAC6 337/4885FLT4 936/4885

“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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