SCHEMBL20150646

SCHEMBL20150646

O=C1C[C@](C/C=C/C[C@]2(C(=O)OCc3ccccc3)CC(=O)O2)(Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL12745797 0.92 DDB1 (0.45) DDB1CRBNALDH1A1
SCHEMBL12745798 0.83 DDB1 (0.44) DDB1CRBNALDH1A1
SCHEMBL12746026 0.81 DDB1 (0.39) DDB1CRBNALDH1A1
SCHEMBL1464470 0.80 ALDH1A1 (0.44) DDB1CRBNALDH1A1
SCHEMBL20156643 0.79 DDB1 (0.37) DDB1CRBNALDH1A1
SCHEMBL20156647 0.77 DDB1 (0.46) DDB1CRBNALDH1A1
SCHEMBL4608649 0.75 DDB1 (0.50) DDB1CRBN
SCHEMBL18235750 0.74 ALDH1A1 (0.40) DDB1CRBNALDH1A1
SCHEMBL12745986 0.72 DDB1 (0.41) DDB1CRBNALDH1A1
SCHEMBL6297349 0.70 DDB1 (0.44) DDB1CRBN

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-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF CURIA BUFFALO R&D, LLC 2018-05-17 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-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH DDB1 3108/4885CRBN 3873/4885ALDH1A1 418/4885

“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.