SCHEMBL6495119

SCHEMBL6495119

COC(=O)CC(O)CC(O)/C=C/c1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.53
CYP2C9 P11712 4/20 0.51
SIRT6 Q8N6T7 2/20 0.51
ABCC3 O15438 1/20 0.51
ABCB11 O95342 1/20 0.51
PGR P06401 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
RXRA P19793 1/20 0.51
TBXA2R P21731 1/20 0.51
CCKAR P32238 1/20 0.51
ADRA1A P35348 1/20 0.51
PTGS2 P35354 1/20 0.51
NR4A2 P43354 1/20 0.51
PDE4D Q08499 1/20 0.51
SLC10A1 Q14973 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6495126 1.00 HMGCR (0.53) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6495122 1.00 HMGCR (0.53) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6505123 0.92 HMGCR (0.58) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6505114 0.92 HMGCR (0.58) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5732442 0.92 HMGCR (0.58) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5732448 0.92 HMGCR (0.58) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5732875 0.92 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5732878 0.92 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731776 0.91 HMGCR (0.51) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731774 0.91 HMGCR (0.51) HMGCRCYP2C9SIRT6ABCC3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 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 (1 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 HMGCR 1/4885CYP2C9 554/4885SIRT6 761/4885

“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.