SCHEMBL5086461

SCHEMBL5086461

CCOC(=O)C(n1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc21)n1ccc2ccc(O[Si](C)(C)C(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
MCL1 Q07820 3/20 0.34
DRD2 P14416 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
PREP P48147 3/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
BRD4 O60885 1/20 0.32
ADA P00813 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL3872153 0.80 MCL1 (0.45) CA12CA1CA9MCL1DRD2
SCHEMBL1750249 0.74 CA12 (0.44) CA12CA1CA9MCL1PREP
SCHEMBL5015441 0.74 MCL1 (0.43) CA12CA1CA9MCL1MTNR1A
SCHEMBL3874157 0.73 PPARD (0.42) CA12CA1CA9DRD2MTNR1A
SCHEMBL13923715 0.72 CA12 (0.49) CA12CA1CA9MCL1PREP
SCHEMBL24648595 0.70 CA12 (0.38) CA12CA1CA9DRD2PREP
SCHEMBL7477920 0.69 MMP8 (0.42) CA12CA1CA9DRD2HSP90AA1
SCHEMBL1390740 0.68 PTPN2 (0.48) CA12CA1CA9DRD2
SCHEMBL5884146 0.68 CA12 (0.45) CA12CA1CA9DRD2
SCHEMBL3481137 0.68 TSHR (0.42) CA12CA1CA9DRD2MAOB

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-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG CA12 4878/4885CA1 4860/4885CA9 4622/4885

“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.