SCHEMBL5598159

SCHEMBL5598159

CC(C)=CCC1=C(O)C2(C(=O)c3ccccc3)C(=O)C(CC=C(C)C)(CC(CC=C(C)C)C2(C)C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 6/20 0.53
SIRT2 Q8IXJ6 5/20 0.53
PTGES O14684 3/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP3A4 P08684 2/20 0.53
NR1I2 O75469 1/20 0.53
DLAT P10515 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 3/20 0.48
POLL Q9UGP5 3/20 0.45
STAT1 P42224 1/20 0.42
EP300 Q09472 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
KAT2B Q92831 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MET P08581 4/20 0.40
PTGS2 P35354 1/20 0.38

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
SCHEMBL14524549 1.00 SIRT1 (0.53) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524550 1.00 SIRT1 (0.53) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL31345797 0.93 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524547 0.93 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL31345913 0.93 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524546 0.93 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524552 0.93 SIRT1 (0.60) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524558 0.88 SIRT1 (0.51) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14524556 0.84 SIRT1 (0.52) SIRT1SIRT2PTGESSLC6A2SLC6A4
SCHEMBL14141107 0.83 PTGES (0.40) SIRT1SIRT2PTGESSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415219-C Substituted bicyclo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients SIEGFRIED SEEBER (US) 2008-09-03 CN disclosed
US-7199161-B2 Substituted bicylo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients DIAGENICS INTERNATIONAL CORPORATION (US) 2007-04-03 US disclosed
US-7199161-B2 Substituted bicylo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients DIAGENICS INTERNATIONAL CORPORATION (US) 2007-04-03 US disclosed
US-7199161-B2 Substituted bicylo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients DIAGENICS INTERNATIONAL CORPORATION (US) 2007-04-03 US disclosed
EP-1448179-B1 SUBSTITUTED BICYCLO 3.3.1 NONAN-2,4,9-TRIONES AS PHARMACEUTICAL ACTIVE INGREDIENTS DIAGENICS INTERNAT CORP (US) 2006-08-09 EP disclosed
CN-1615127-A Substituted bicyclo [3.3.1] nonane-2, 4, 9-triones as active pharmaceutical ingredients SIEGFRIED SEEBER (DE) 2005-05-11 CN disclosed
US-20050090693-A1 Substituted bicylo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients DIAGENICS INTERNATIONAL CORPORATION 2005-04-28 US disclosed
EP-1448179-A1 SUBSTITUTED BICYCLO 3.3.1 NONAN-2,4,9-TRIONES AS PHARMACEUTICAL ACTIVE INGREDIENTS Seeber, Siegfried (DE) 2004-08-25 EP disclosed
WO-2003043622-A1 SUBSTITUTED BICYCLO[3.3.1]NONAN-2,4,9-TRIONES AS PHARMACEUTICAL ACTIVE INGREDIENTS SEEBER SIEGFRIED (DE) 2003-05-30 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-20050090693-A1 Substituted bicylo[3.3.1]nonan-2,4,9-triones as pharmaceutical active ingredients TK1, TK2, TERT SIRT1 605/4885SIRT2 809/4885PTGES 2344/4885

“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.