SCHEMBL2222733

SCHEMBL2222733

CC(C)(C)[Si](C)(C)Oc1ccc2ccc(I)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA9 Q16790 4/20 0.54
PREP P48147 4/20 0.39
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
APP P05067 3/20 0.32
NPC1 O15118 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
SCHEMBL12017833 0.82 CA1 (0.59) CA12CA1CA9PREPRAB9A
SCHEMBL12581975 0.81 CA12 (0.55) CA12CA1CA9PREPRAB9A
SCHEMBL2221888 0.81 CA12 (0.55) CA12CA1CA9PREPRAB9A
SCHEMBL2522567 0.80 CA12 (0.54) CA12CA1CA9PREPCYP1A2
SCHEMBL1118830 0.80 PREP (0.50) CA12CA1CA9PREPAPP
SCHEMBL704912 0.77 CA12 (0.58) CA12CA1CA9PREPRAB9A
SCHEMBL30186537 0.77 CA12 (0.58) CA12CA1CA9PREPRAB9A
SCHEMBL3571948 0.77 CA12 (0.44) CA12CA1CA9PREPHSP90AA1
SCHEMBL30628285 0.77 CA12 (0.44) CA12CA1CA9PREPHSP90AA1
SCHEMBL1882570 0.77 CA12 (0.61) CA12CA1CA9PREPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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 (1 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 CA12 1737/4885CA1 1469/4885CA9 86/4885

“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.