SCHEMBL6493208

SCHEMBL6493208

CCn1c(/C=C/[C@H](O)C[C@@H](O)CC(=O)OC)c(-c2ccc(F)cc2)c(C(C)C)c1C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.48
CYP2C9 P11712 3/20 0.48
SIRT6 Q8N6T7 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCB11 O95342 1/20 0.48
PGR P06401 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
RXRA P19793 1/20 0.48
TBXA2R P21731 1/20 0.48
CCKAR P32238 1/20 0.48
ADRA1A P35348 1/20 0.48
PTGS2 P35354 1/20 0.48
NR4A2 P43354 1/20 0.48
PDE4D Q08499 1/20 0.48
SLC10A1 Q14973 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
SCHEMBL6493211 1.00 HMGCR (0.48) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6491097 1.00 HMGCR (0.48) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6491095 1.00 HMGCR (0.48) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731382 0.88 HMGCR (0.43) HMGCRABCC3ABCB11
SCHEMBL5731375 0.88 HMGCR (0.43) HMGCRABCC3ABCB11
SCHEMBL5731656 0.85 HMGCR (0.59) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731642 0.85 HMGCR (0.59) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731660 0.85 HMGCR (0.59) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5731645 0.85 HMGCR (0.59) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6493160 0.83 HMGCR (0.61) HMGCRABCB11

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.