SCHEMBL6579608

SCHEMBL6579608

CCCCC(=O)c1ccc(C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.65
HTR7 P34969 1/20 0.62
STS P08842 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL3027932 0.95 HSD17B3 (0.66) HSD17B3HTR7STSL3MBTL1ALDH1A1
SCHEMBL6839650 0.93 HSD17B3 (0.67) HSD17B3HTR7STSL3MBTL1
SCHEMBL3844202 0.93 HSD17B3 (0.67) HSD17B3HTR7STSL3MBTL1
SCHEMBL9506499 0.93 HSD17B3 (0.67) HSD17B3HTR7STSL3MBTL1
SCHEMBL6579588 0.89 HSD17B3 (0.62) HSD17B3HTR7STSL3MBTL1ALDH1A1
SCHEMBL14522305 0.86 HSD17B3 (0.83) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL2903307 0.86 HSD17B3 (0.58) HSD17B3
SCHEMBL8384454 0.84 HSD17B3 (0.62) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL28033085 0.81 ALDH1A1 (0.48) HSD17B3HTR7L3MBTL1ALDH1A1NPC1
SCHEMBL6577194 0.80 ALDH1A1 (0.56) HSD17B3L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856007-B1 CYCLOPEPTIDE DERIVATIVES MERCK PATENT GMBH (DE) 2004-04-21 EP disclosed
US-6566491-B2 Used as integrin inhibitors, in particular for the prevention and treatment of circulatory diseases, thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, angiogenic diseases and in tumor therapy. MERCK PATENT GESELLSCHAFT (DE) 2003-05-20 US disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 US disclosed
EP-0856007-A1 CYCLOPEPTIDE DERIVATIVES MERCK PATENT GmbH (DE) 1998-08-05 EP disclosed
WO-1997014716-A1 CYCLOPEPTIDE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-24 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-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A HSD17B3 943/4885HTR7 3098/4885STS 1381/4885

“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.