SCHEMBL1396396

SCHEMBL1396396

C#Cc1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
HAO1 Q9UJM8 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PREP P48147 2/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
CA2 P00918 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TDP2 O95551 1/20 0.33
PTPN1 P18031 1/20 0.33
EGFR P00533 2/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
GRM5 P41594 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
SCHEMBL3287158 0.83 CA12 (0.41) CA12CA1CA9
SCHEMBL4392522 0.82 CA12 (0.40) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL7706827 0.82 CA1 (0.50) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL6810932 0.80 HAO1 (0.38) CA12CA1CA9HAO1HSP90AA1
SCHEMBL9051730 0.79 PREP (0.43) CA12CA1CA9HAO1PREP
SCHEMBL28574194 0.78 FABP7 (0.40) CA12CA1CA9HAO1FABP7
SCHEMBL3182564 0.77 CA12 (0.46) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL24724730 0.76 KDM4E (0.39) EGFR
SCHEMBL30940206 0.76 CA12 (0.43) CA12CA1CA9HSP90AA1HSP90AB1
SCHEMBL2329760 0.75 ACHE (0.50) CA12CA1CA9HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190823-A1 NRF2 INHIBITORS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-06-13 US disclosed
EP-2288612-B1 GABAA RECEPTOR MODULATORS GABATHER AB (SE) 2015-07-29 EP disclosed
US-8809355-B2 GABAA receptor modulators INNOVATIONSPATENT SVERIGE AB (SE) 2014-08-19 US disclosed
US-20110092525-A1 GABAA RECEPTOR MODULATORS GABATHER AB (SE) 2011-04-21 US disclosed
EP-2288612-A1 GABAA RECEPTOR MODULATORS Forskarpatent i Syd AB (SE) 2011-03-02 EP disclosed
WO-2009123537-A1 GABAa RECEPTOR MODULATORS FORSKARPATENT I SYD AB (SE) 2009-10-08 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 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-20110092525-A1 GABAA RECEPTOR MODULATORS GABRA5, GABRA1, GABRA2 CA12 3840/4885CA1 1506/4885CA9 2046/4885
US-20240190823-A1 NRF2 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 CA12 3731/4885CA1 3513/4885CA9 800/4885

“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.