SCHEMBL4182936

SCHEMBL4182936

COC(=O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
PREP P48147 4/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
DRD2 P14416 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
HPGD P15428 1/20 0.33
CNR2 P34972 1/20 0.32
RAB9A P51151 1/20 0.32
PTGDR Q13258 1/20 0.32

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
SCHEMBL4181304 0.82 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL27742575 0.82 PREP (0.40) CA12CA1CA9PREPHSP90AA1
SCHEMBL4187296 0.80 DRD2 (0.43) CA12CA1CA9PREPHSP90AA1
SCHEMBL4184398 0.80 DRD2 (0.36) DRD2CNR2PTGDRPTGDR2
SCHEMBL4182931 0.78 POLB (0.38) ALDH1A1HSD17B10CCNCCDK8DRD2
SCHEMBL4187386 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDPTGDRPTGDR2
SCHEMBL13775072 0.76 HRH3 (0.34) CCNCCDK8RPS6KB2CNR2RAB9A
SCHEMBL15876126 0.76 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL16293940 0.75 PTGDR (0.36) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL16306999 0.75 PTGDR (0.36) ALDH1A1MAPTLMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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 (2 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD CA12 4865/4885CA1 4881/4885CA9 4577/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD CA12 4865/4885CA1 4881/4885CA9 4577/4885

“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.