SCHEMBL3545188

SCHEMBL3545188

O=C(O)Cc1ccc[c]c1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CXCL8 P10145 5/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 3/20 0.35
AKR1B10 O60218 1/20 0.34
UGT1A9 O60656 1/20 0.34
TRPA1 O75762 1/20 0.34
ABCB11 O95342 1/20 0.34
MT-CO2 P00403 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
UGT1A6 P19224 1/20 0.34
UGT1A1 P22309 1/20 0.34
PTGS1 P23219 1/20 0.34
CXCR1 P25024 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL3542555 0.98 AKR1B1 (0.40) AKR1B1TDP1PTGDR2CXCL8KDM4E
SCHEMBL3545672 0.85 F2RL1 (0.33) PTGDR2KDM4EMAPTEPHX2KMO
SCHEMBL3538193 0.82 THRA (0.46)
SCHEMBL3543771 0.81 SIGMAR1 (0.36)
SCHEMBL3548278 0.81 PTGDR (0.38) PTGDR2KDM4EEPHX2
SCHEMBL3542656 0.80 PKM (0.39) TDP1
SCHEMBL3545679 0.79 PKM (0.39) TDP1
SCHEMBL3540674 0.79 MAPK1 (0.32) KDM4ECYP1A2
SCHEMBL3546378 0.76
SCHEMBL3543716 0.76 ACMSD (0.42) TDP1KDM4EKMO

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 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
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 AKR1B1 453/4885TDP1 4089/4885PTGDR2 663/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 AKR1B1 487/4885TDP1 3959/4885PTGDR2 648/4885

“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.