SCHEMBL3545681

SCHEMBL3545681

CCOC(=O)CC1(c2cc[c]cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HSD11B1 P28845 1/20 0.42
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3542659 0.99 GAA (0.48) GAAHSD11B1KDM4EKMT2AL3MBTL1
SCHEMBL3548281 0.85 HSD11B1 (0.44) HSD11B1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL9181522 0.85 GAA (0.62) GAAHSD11B1KMT2AL3MBTL1MEN1
SCHEMBL12894890 0.84 SLC6A4 (0.51) GAAHSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL3545231 0.82 GAA (0.38) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3543773 0.79 HSD11B1 (0.44) HSD11B1L3MBTL1SMN1; SMN2NPSR1TP53
SCHEMBL3542558 0.79 HSD11B1 (0.66) HSD11B1L3MBTL1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL3951730 0.78 GAA (0.48) GAAHSD11B1KDM4EKMT2AL3MBTL1
SCHEMBL27860794 0.78 GAA (0.48) GAAHSD11B1KDM4EKMT2AL3MBTL1
SCHEMBL27860787 0.78 GAA (0.45) GAAHSD11B1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 GAA 171/4885HSD11B1 117/4885KDM4E 3511/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 GAA 163/4885HSD11B1 126/4885KDM4E 3382/4885

“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.