SCHEMBL20156647

SCHEMBL20156647

O=C1C[C@](CCCC[C@]2(C(=O)OCc3ccccc3)CC(=O)O2)(C(=O)OCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 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
SCHEMBL12745986 0.85 DDB1 (0.41) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL12745797 0.84 DDB1 (0.45) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL12745798 0.83 DDB1 (0.44) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL1464470 0.80 ALDH1A1 (0.44) DDB1CRBNALDH1A1
SCHEMBL4608649 0.78 DDB1 (0.50) DDB1CRBN
SCHEMBL20150646 0.77 DDB1 (0.39) DDB1CRBNALDH1A1
SCHEMBL12746026 0.77 DDB1 (0.39) DDB1CRBNALDH1A1
SCHEMBL20156643 0.75 DDB1 (0.37) DDB1CRBNALDH1A1
SCHEMBL6299054 0.74 DDB1 (0.46) DDB1CRBNALDH1A1KMT2AMAPK1
SCHEMBL12629111 0.73 ALDH1A1 (0.51) DDB1CRBNALDH1A1KMT2AMAPK1

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.