SCHEMBL8300024

SCHEMBL8300024

CCOc1ccc(CCC[C@@H](C)[C@@H](C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
ACACB O00763 3/20 0.46
NQO1 P15559 1/20 0.45
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL3866048 1.00 SIGMAR1 (0.48) SIGMAR1ACACBNQO1SLC5A1SLC5A2
SCHEMBL2247026 0.82 SIGMAR1 (0.44) SIGMAR1ACACBNQO1SLC5A1SLC5A2
SCHEMBL4248652 0.78 NQO1 (0.67) SIGMAR1ACACBNQO1SLC5A1SLC5A2
SCHEMBL12548935 0.78 ACACB (0.44) SIGMAR1ACACBNQO1SLC5A1SLC5A2
SCHEMBL27028893 0.78 S1PR2 (0.49) SIGMAR1ACACBSLC5A1SLC5A2NPC1
SCHEMBL27130219 0.78 S1PR2 (0.49) SIGMAR1ACACBSLC5A1SLC5A2NPC1
SCHEMBL2247027 0.78 SIGMAR1 (0.43) SIGMAR1ACACBNQO1SLC5A1SLC5A2
SCHEMBL7866257 0.77 SIGMAR1 (0.50) SIGMAR1ACACBNQO1MAPTLMNA
SCHEMBL29466896 0.77 SIGMAR1 (0.50) SIGMAR1ACACBNQO1MAPTLMNA
SCHEMBL10575040 0.77 NQO1 (0.64) SIGMAR1NQO1SLC5A1SLC5A2MAPT

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-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-7786121-B2 Derivatives of hydroxamic acid as metalloproteinase inhibitors VERNALIS (OXFORD) LIMITED (GB) 2010-08-31 US disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 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-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 SIGMAR1 594/4885ACACB 2908/4885NQO1 71/4885

“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.