SCHEMBL3452984

SCHEMBL3452984

COC(=O)Cc1ccc(C(=O)CC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
CA2 P00918 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CA1 P00915 1/20 0.40
LMNA P02545 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PIK3CA P42336 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL46585 0.84 MTNR1A (0.43) ALDH1A1GAAGFERCA2CA1
SCHEMBL2331170 0.79 ALDH1A1 (0.50) ALDH1A1GAAGFERCA2CYP4F2
SCHEMBL3451318 0.77 ALDH1A1 (0.53) ALDH1A1GAAGFERCA2CYP4F2
SCHEMBL21820674 0.76 ALDH1A1 (0.48) ALDH1A1GAAGFERCA2CYP4F2
SCHEMBL3566922 0.76 ERCC5 (0.54) ALDH1A1LMNAMAPTHPGDERCC5
SCHEMBL30632630 0.75 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL298044 0.75 TSHR (0.62) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL26091012 0.75 CA2 (0.46) ALDH1A1CA2CA1LMNAMTNR1A
SCHEMBL30349503 0.75 CA2 (0.46) ALDH1A1CA2CA1LMNAMTNR1A
SCHEMBL31607953 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
CN-1984894-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-20 CN disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD ALDH1A1 1651/4885GAA 1126/4885GFER 3152/4885

“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.