SCHEMBL4183160

SCHEMBL4183160

COC(=O)Cc1ccc(C2CC2)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SLC7A5 Q01650 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK2 Q15119 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
SCHEMBL21882882 0.82 DRD2 (0.66) DRD2GAAALDH1A1GFERMAPT
SCHEMBL4189987 0.82 DRD2 (0.51) DRD2GAAALDH1A1GFERMAPT
SCHEMBL28772800 0.81 CYP3A4 (0.45) DRD2ALDH1A1
SCHEMBL4179789 0.78 PTGDR2 (0.46) DRD2GAAALDH1A1PTGDRPTGDR2
SCHEMBL4654931 0.76 DRD2 (0.46) DRD2GAAALDH1A1GFERMAPT
SCHEMBL13775008 0.76 ALDH1A1 (0.39) GAAALDH1A1GFERMAPTCYP4F2
SCHEMBL4657484 0.76 DRD2 (0.48) DRD2GAAALDH1A1GFERMAPT
SCHEMBL4183281 0.76 GAA (0.55) GAAALDH1A1GFERPTGDRPTGDR2
SCHEMBL4188131 0.76 HSP90AB1 (0.39) DRD2GAAALDH1A1GFERMAPT
SCHEMBL9340684 0.76 SLC7A5 (0.49) DRD2GAAALDH1A1GFERMAPT

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-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-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP 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 DRD2 3502/4885GAA 995/4885ALDH1A1 1696/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD DRD2 3502/4885GAA 995/4885ALDH1A1 1696/4885

“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.