SCHEMBL5730679

SCHEMBL5730679

COC(=O)C[C@@H](CC(=O)/C=C/c1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)n1C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 18/20 0.45
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
RHOC P08134 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36

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
SCHEMBL5730680 1.00 HMGCR (0.45) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5732350 0.96 HMGCR (0.42) HMGCR
SCHEMBL5732349 0.96 HMGCR (0.42) HMGCR
SCHEMBL5749944 0.91 HMGCR (0.43) HMGCR
SCHEMBL5749941 0.91 HMGCR (0.43) HMGCR
SCHEMBL5732063 0.91 HMGCR (0.45) HMGCR
SCHEMBL5732070 0.91 HMGCR (0.45) HMGCR
SCHEMBL6493447 0.90 HMGCR (0.46) HMGCR
SCHEMBL5731672 0.90 HMGCR (0.46) HMGCR
SCHEMBL5731668 0.90 HMGCR (0.46) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO 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 1/4885NR1I2 317/4885ABCB11 689/4885

“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.