SCHEMBL5732075

SCHEMBL5732075

CCn1c(C=O)c(-c2ccc(F)cc2)c(C(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
GCGR P47871 7/20 0.38
HMGCR P04035 2/20 0.36
MAPK14 Q16539 1/20 0.36
CYP2C9 P11712 3/20 0.36
SIRT6 Q8N6T7 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCB11 O95342 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
RXRA P19793 1/20 0.36
TBXA2R P21731 1/20 0.36
CCKAR P32238 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36
NR4A2 P43354 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC10A1 Q14973 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5731076 0.89 GCGR (0.34) GRIA2GRIA4GCGRHMGCRMAPK14
SCHEMBL5731277 0.86 MAPT (0.41) ALDH1A1
SCHEMBL5731982 0.84 HMGCR (0.46) HMGCRABCC3ABCB11
SCHEMBL5730843 0.83 GRIA2 (0.43) GRIA2GRIA4MAPK14ALDH1A1
SCHEMBL5731592 0.74 HMGCR (0.43) GRIA2GRIA4HMGCRCYP2C9SIRT6
SCHEMBL5731420 0.71 HMGCR (0.45) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6091718 0.66 HMGCR (0.41) GRIA2GRIA4HMGCRCYP2C9SIRT6
SCHEMBL5731885 0.66 MAPT (0.42) ALDH1A1
SCHEMBL5730836 0.65 ALDH1A1 (0.42) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL6090595 0.65 HMGCR (0.43) 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 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 GRIA2 3239/4885GRIA4 3715/4885GCGR 1255/4885

“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.