SCHEMBL3538431

SCHEMBL3538431

O=C(O)C1(c2[c]cccc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.52
HDAC4 P56524 2/20 0.39
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HSD11B1 P28845 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TET3 O43151 1/20 0.33
FBXL19 Q6PCT2 1/20 0.33
CXXC5 Q7LFL8 1/20 0.33
TET1 Q8NFU7 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
CXXC4 Q9H2H0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3543714 0.96 AKR1C1 (0.56) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL3539518 0.95 AKR1C1 (0.55) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL27987361 0.93 AKR1C1 (0.46) AKR1C1HDAC4KMT2ANPSR1HSD11B1
SCHEMBL27987684 0.84 AKR1C1 (0.38) AKR1C1HDAC4THRBTDP1KMT2A
SCHEMBL3545426 0.80 CHRM3 (0.37) AKR1C1HDAC4KMT2AMEN1SMN1; SMN2
SCHEMBL15067903 0.77 LMNA (0.37) AKR1C1TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL3538579 0.77 CHRM3 (0.40) AKR1C1HDAC4KMT2AMEN1HSD11B1
SCHEMBL746495 0.73 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL1667343 0.72 AKR1C1 (0.91) AKR1C1HDAC4KMT2AMEN1NPSR1
SCHEMBL3538190 0.72 LMNA (0.33) AKR1C1SMN1; SMN2LMNAALDH1A1

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 11 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
CN-104245688-A Indole and indazole compounds that activate ampk PFIZER 2014-12-24 CN disclosed
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 824/4885HDAC4 1043/4885THRB 1128/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 AKR1C1 862/4885HDAC4 895/4885THRB 1015/4885

“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.