SCHEMBL4164845

SCHEMBL4164845

CCOC(=O)c1c[nH]c2ccc(C#CCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRB2 P47870 4/20 0.55
GABRB1 P18505 3/20 0.54
GABRA3 P34903 3/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN11 Q06124 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CLEC4M Q9H2X3 1/20 0.42

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
SCHEMBL3974096 0.80 LMNA (0.56) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL4178080 0.79 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4179988 0.79 PTPN11 (0.42) GABRA1MEN1KMT2AALDH1A1HPGD
SCHEMBL13997404 0.77 HTT (0.44) MEN1KMT2AHPGDHSD17B10L3MBTL1
SCHEMBL5430748 0.77 DDB1 (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL14045455 0.76 HTT (0.43) MEN1KMT2AHPGDHSD17B10L3MBTL1
SCHEMBL4171045 0.75 DDB1 (0.40) MEN1KMT2AALDH1A1HPGDPTPN11
SCHEMBL23947944 0.74 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30272541 0.74 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL30279480 0.74 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3MEN1

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
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 GABRA1 3341/4885GABRB2 4256/4885GABRB1 3850/4885

“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.