SCHEMBL4139977

SCHEMBL4139977

CCOC(=O)c1cn2c3c(cc(C#CCOCCNC(=O)OC(C)(C)C)cc3c1=O)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.36
CRBN Q96SW2 3/20 0.36
STAT3 P40763 1/20 0.31
ADRB2 P07550 1/20 0.31
BCHE P06276 2/20 0.31
CNR2 P34972 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5442448 0.90 DDB1 (0.42) DDB1CRBNSTAT3ADRB2ALDH1A1
SCHEMBL3978702 0.85 DDB1 (0.41) DDB1CRBNSTAT3ALDH1A1KDM4E
SCHEMBL4136760 0.83 DDB1 (0.38) DDB1CRBNADRB2BCHECNR2
SCHEMBL3815499 0.79 LMNA (0.50) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL4129107 0.79 KDM4E (0.49) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL4129106 0.79 KDM4E (0.49) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL4883376 0.78 DDB1 (0.37) DDB1CRBNSTAT3ADRB2ALDH1A1
SCHEMBL3291116 0.78 LMNA (0.37) DDB1CRBNBCHECNR2ALDH1A1
SCHEMBL3981476 0.76 MTNR1A (0.42) ADRB2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4180098 0.75 DDB1 (0.37) DDB1CRBNSTAT3ALDH1A1KDM4E

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-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 DDB1 3765/4885CRBN 3533/4885STAT3 3815/4885

“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.