SCHEMBL5731382

SCHEMBL5731382

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 11/20 0.43
ABCB11 O95342 3/20 0.42
SLCO1B1 Q9Y6L6 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NR1I2 O75469 1/20 0.42
RHOC P08134 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ABCC3 O15438 2/20 0.41
ABCC4 O15439 2/20 0.41
SLCO1B3 Q9NPD5 2/20 0.41

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
SCHEMBL5731375 1.00 HMGCR (0.43) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL6493211 0.88 HMGCR (0.48) HMGCRABCB11ABCC3
SCHEMBL6491097 0.88 HMGCR (0.48) HMGCRABCB11ABCC3
SCHEMBL6493208 0.88 HMGCR (0.48) HMGCRABCB11ABCC3
SCHEMBL6491095 0.88 HMGCR (0.48) HMGCRABCB11ABCC3
SCHEMBL5731369 0.86 HMGCR (0.36) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5731365 0.86 HMGCR (0.36) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5731034 0.84 HMGCR (0.55) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5731030 0.84 HMGCR (0.55) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5728437 0.81 HMGCR (0.51) 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 4 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
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 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 1/4885ABCB11 689/4885SLCO1B1 1623/4885

“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.