SCHEMBL13009581

SCHEMBL13009581

CCOC(=O)CC1CCCC(c2ccc(O)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.48
ESR1 P03372 7/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
MIF P14174 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL13009578 0.88 LMNA (0.40) ESR2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL1709504 0.88 LMNA (0.40) ESR2CYP3A4TDP1KDM4EALDH1A1
SCHEMBL1709507 0.88 MEN1 (0.44) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8587317 0.87 ALDH1A1 (0.47) KDM4EALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL13008742 0.86 CNR2 (0.45) SMN1; SMN2KMT2A
SCHEMBL16762732 0.83 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL17327388 0.83 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10188553 0.83 ESR2 (0.56) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL13009582 0.81 DRD2 (0.51)
SCHEMBL3541600 0.80 ESR2 (0.54) ESR2ESR1CYP3A4CYP2C9CYP2D6

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 6 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 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-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
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 ESR2 2111/4885ESR1 2469/4885CYP3A4 551/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ESR2 2062/4885ESR1 2414/4885CYP3A4 544/4885

“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.