SCHEMBL13316786

SCHEMBL13316786

CC(C)OC1CC(=O)OC(/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 10/20 0.55
RXRA P19793 2/20 0.51
NR1I2 O75469 1/20 0.48
NR4A2 P43354 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL13349654 0.91 HMGCR (0.57) HMGCRRXRANR1I2NR4A2PDE4D
SCHEMBL10049194 0.87 HMGCR (0.60) HMGCRRXRANR1I2NR4A2PDE4D
SCHEMBL13980281 0.85 HMGCR (0.57) HMGCRRXRANR1I2NR4A2PDE4D
SCHEMBL247234 0.85 HMGCR (0.74) HMGCRRXRA
SCHEMBL247233 0.85 HMGCR (0.74) HMGCRRXRA
SCHEMBL7481310 0.85 HMGCR (0.74) HMGCRRXRA
SCHEMBL7481306 0.85 HMGCR (0.74) HMGCRRXRA
SCHEMBL9301248 0.85 HMGCR (0.74) HMGCRRXRA
SCHEMBL14669780 0.83 HMGCR (0.54) HMGCRRXRANR1I2NR4A2PDE4D
SCHEMBL7899135 0.80 RXRA (0.58) HMGCRRXRANR1I2NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732413-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-08 US disclosed
US-20080200446-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-08-21 US disclosed
US-7378518-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-05-27 US disclosed
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-07-05 US disclosed
US-7208486-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-04-24 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-20080200446-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof CYP46A1, NPC1L1, PCSK9 HMGCR 18/4885RXRA 2353/4885NR1I2 272/4885
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 HMGCR 29/4885RXRA 2593/4885NR1I2 1302/4885

“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.