SCHEMBL3549017

SCHEMBL3549017

O=C(O)C1(Oc2[c]cccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 2/20 0.35
CTSK P43235 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHRM3 P20309 1/20 0.33
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL826010 0.92 AKR1C1 (0.35) AKR1C1NPSR1MEN1KMT2A
SCHEMBL3542721 0.83 CYP3A4 (0.38) NPSR1HDAC4CTSKMEN1KMT2A
SCHEMBL3550933 0.80 SMN1; SMN2 (0.46) MEN1KMT2AAPOBEC3AHTTAPOBEC3G
SCHEMBL18469680 0.78 CTSK (0.49) AKR1C1NPSR1HDAC4CTSKMEN1
SCHEMBL3452541 0.75
SCHEMBL31117363 0.72 CTSK (0.44) AKR1C1NPSR1CTSKMAP4K4
SCHEMBL3549020 0.71 MAP4K4 (0.42) AKR1C1NPSR1HDAC4CTSKMEN1
SCHEMBL3451707 0.71
SCHEMBL3539518 0.70 AKR1C1 (0.55) AKR1C1NPSR1HDAC4MEN1KMT2A
SCHEMBL3543714 0.68 AKR1C1 (0.56) AKR1C1NPSR1HDAC4MEN1KMT2A

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
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 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
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (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 AKR1C1 824/4885NPSR1 2231/4885HDAC4 1043/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 AKR1C1 862/4885NPSR1 2092/4885HDAC4 895/4885

“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.