SCHEMBL4186478

SCHEMBL4186478

CC(C)(C)OC(=O)NCC#Cc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCOC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
PTPN11 Q06124 1/20 0.39
ADRA2A P08913 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
P2RY6 Q15077 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ADRA2B P18089 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATR Q13535 3/20 0.32
ATRIP Q8WXE1 3/20 0.32
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL4169255 0.82 SIGMAR1 (0.38) ALDH1A1ATRATRIPSIGMAR1
SCHEMBL4883376 0.82 DDB1 (0.37) DDB1CRBNPTPN11ADRA2ADRD5
SCHEMBL3978702 0.79 DDB1 (0.41) DDB1CRBNPTPN11KDM4EMAPK1
SCHEMBL5442448 0.79 DDB1 (0.42) DDB1CRBNPTPN11ADRA2ADRD5
SCHEMBL4180098 0.74 DDB1 (0.37) DDB1CRBNPTPN11ADRA2ADRD5
SCHEMBL4183925 0.73 DDB1 (0.37) DDB1CRBNPTPN11ADRA2ADRD5
SCHEMBL4183629 0.73 DDB1 (0.38) DDB1CRBNPTPN11ADRA2ADRD5
SCHEMBL4183936 0.72 SIGMAR1 (0.37) KDM4EATRATRIPSIGMAR1
SCHEMBL4183931 0.72 SIGMAR1 (0.37) KDM4EATRATRIPSIGMAR1
SCHEMBL4889016 0.71 KDM4E (0.39) KDM4EADRA2BMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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 (2 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 DDB1 3765/4885CRBN 3533/4885PTPN11 2201/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 DDB1 3374/4885CRBN 4542/4885PTPN11 3333/4885

“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.