SCHEMBL4136760

SCHEMBL4136760

CCOC(=O)c1cn2c3c(cc(CCCOCCNC(=O)OC(C)(C)C)cc3c1=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.38
CRBN Q96SW2 3/20 0.38
ADRB2 P07550 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PARP1 P09874 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4134781 0.90 DDB1 (0.40) DDB1CRBNHRH3PARP1SIGMAR1
SCHEMBL3981476 0.89 MTNR1A (0.42) ADRB2SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL5435573 0.83 SIGMAR1 (0.40) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL4139977 0.83 DDB1 (0.36) DDB1CRBNADRB2MEN1ALDH1A1
SCHEMBL5433734 0.82 SIGMAR1 (0.40) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL5433728 0.82 SIGMAR1 (0.40) SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL5433730 0.81 SIGMAR1 (0.37) SIGMAR1MEN1ALDH1A1KMT2ACNR2
SCHEMBL4174568 0.81 KDM4E (0.34) ADRB2SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL4172529 0.78 BRD4 (0.35) ADRB2SIGMAR1MEN1ALDH1A1TSHR
SCHEMBL4143498 0.78 KDM4E (0.52) DDB1CRBNHRH3SIGMAR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 US disclosed
EP-1824869-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050941-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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 3533/4885ADRB2 3053/4885

“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.