SCHEMBL663356

SCHEMBL663356

CC(C)(C)[Si](C)(C)OCCOc1ccc(CI)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
HTT P42858 2/20 0.35
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PPARG P37231 1/20 0.32
DHFR P00374 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
SCHEMBL662362 0.84 PPARG (0.41) DUTHTTKDM4EALDH1A1HRH3
SCHEMBL23755050 0.84 KEAP1 (0.50) DUTKEAP1NFE2L2
SCHEMBL31621061 0.83 APP (0.42) DUTAPPKDM4EALDH1A1
SCHEMBL5857320 0.81 MEN1 (0.45) HTTKDM4EALDH1A1CA12CA1
SCHEMBL15831460 0.81 DRD2 (0.44) DUTALDH1A1
SCHEMBL15814847 0.80 TDP1 (0.47) DUTAPPKDM4EALDH1A1CA12
SCHEMBL2474081 0.80 ALDH1A1 (0.54) DUTKDM4EALDH1A1LMNA
SCHEMBL275331 0.80 LTA4H (0.47) DUTAPPCYP1A2CYP2D6CYP19A1
SCHEMBL9366384 0.79 APP (0.40) APPKDM4EALDH1A1
SCHEMBL662026 0.79 DUT (0.40) DUTPPARG

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
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 DUT 1514/4885HTT 4036/4885APP 1607/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT DUT 2235/4885HTT 4174/4885APP 1380/4885

“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.