SCHEMBL36605

SCHEMBL36605

C=Cc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PREP P48147 2/20 0.33
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL25510403 0.90 TP53 (0.35) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL7193989 0.84 CYP1A1 (0.46) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL17318153 0.83 CA12 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL413810 0.82 HSP90AA1 (0.47) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL37002 0.81 PREP (0.43) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL717551 0.81 CA12 (0.41) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL36825 0.78 NPSR1 (0.34) CA12CA1CA9
SCHEMBL21356550 0.77 ESR1 (0.50) CA12CA1CA9PREPCYP1A1
SCHEMBL14834242 0.76 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL23723314 0.75 CA12 (0.42) CA12CA1CA9PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2020-06-18 US disclosed
US-20190276575-A1 METHOD FOR PRODUCING RESIN AND METHOD FOR PRODUCING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2019-09-12 US disclosed
EP-2448900-B1 ANIONIC POLYMERIZATION INITIATORS AND PROCESSES BRIDGESTONE CORP (JP) 2017-04-26 EP disclosed
US-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-10-06 US disclosed
US-9365660-B2 Anionic polymerization initiators and processes BRIDGESTONE CORPORATION (JP) 2016-06-14 US disclosed
US-20120136128-A1 ANIONIC POLYMERIZATION INITIATORS AND PROCESSES BRIDGESTONE CORPORATION (JP) 2012-05-31 US disclosed
EP-2448900-A2 ANIONIC POLYMERIZATION INITIATORS AND PROCESSES Bridgestone Corporation (JP) 2012-05-09 EP disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
EP-2391658-A1 MOLECULARLY IMPRINTED POLYMERS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-12-07 EP disclosed
WO-2011008501-A2 ANIONIC POLYMERIZATION INITIATORS AND PROCESSES BRIDGESTONE CORPORATION (JP) 2011-01-20 WO disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 WO disclosed
WO-2010085851-A1 MOLECULARLY IMPRINTED POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-08-05 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 (4 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-20160288090-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA1 2621/4885CA9 397/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA1 2621/4885CA9 397/4885
US-20120136128-A1 ANIONIC POLYMERIZATION INITIATORS AND PROCESSES AP1M1, AP2M1, CCNE2 CA12 2082/4885CA1 2210/4885CA9 3146/4885
US-20200188878-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 CA12 1571/4885CA1 2621/4885CA9 397/4885

“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.