SCHEMBL663232

SCHEMBL663232

COCCCc1cc(C=O)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 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
SCHEMBL717551 0.79 CA12 (0.41) PREPCA12CA1CA9
SCHEMBL3108148 0.78 ALDH1A1 (0.39)
SCHEMBL3544897 0.76 CYP1A1 (0.42) PREPCA12CA1CA9
SCHEMBL12094217 0.75 HSP90AA1 (0.32) PREPCA12CA1CA9
SCHEMBL1069742 0.75 ALDH1A1 (0.35)
SCHEMBL14534360 0.75 AHR (0.40) PREPCA12CA1CA9
SCHEMBL3542553 0.74 CA12 (0.39) PREPCA12CA1CA9
SCHEMBL28054403 0.74 FDPS (0.35)
SCHEMBL661792 0.74 PREP (0.39) PREPCA12CA1CA9
SCHEMBL661793 0.74 PREP (0.39) PREPCA12CA1CA9

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 PREP 26/4885CA12 4300/4885CA1 4412/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT PREP 23/4885CA12 4446/4885CA1 4390/4885

“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.