SCHEMBL22128458

SCHEMBL22128458

CC(C)(C)[Si](C)(C)Oc1ccc(Br)c([Si](C)(C)c2cc(O[Si](C)(C)C(C)(C)C)ccc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
PREP P48147 4/20 0.38
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
SCHEMBL1828057 0.80 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL3690504 0.80 CA12 (0.47) CA12CA1CA9PREP
SCHEMBL17836741 0.79 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL28422272 0.79 CA12 (0.46) CA12CA1CA9PREPHSP90AA1
SCHEMBL2090369 0.78 CA12 (0.49) CA12CA1CA9PREPHSP90AA1
SCHEMBL2023774 0.77 CA12 (0.45) CA12CA1CA9PREP
SCHEMBL9013589 0.76 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL6765739 0.76 CA12 (0.47) CA12CA1CA9PREPHSP90AA1
SCHEMBL6841139 0.76 CA12 (0.48) CA12CA1CA9PREPHSP90AA1
SCHEMBL2292629 0.76 CA12 (0.44) CA12CA1CA9PREPHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-08-09 US disclosed
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-06-25 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-11407725-B2 Selective fluorescent probe for aldehyde dehydrogenase ALDH1A1, ALDH3A1, ALDH16A1 CA12 1774/4885CA1 1061/4885CA9 1735/4885
US-20200199092-A1 SELECTIVE FLUORESCENT PROBE FOR ALDEHYDE DEHYDROGENASE ALDH1A1, ALDH3A1, ALDH16A1 CA12 1774/4885CA1 1061/4885CA9 1735/4885

“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.