SCHEMBL3457789

SCHEMBL3457789

CN(O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
HSP90AA1 P07900 1/20 0.35
KCNN4 O15554 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 2/20 0.31
RIPK1 Q13546 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6013056 0.70 ESR1 (0.41) AOC3ESR1ESR2NR1H2NR1H3
SCHEMBL2102111 0.70 KCNN4 (0.36) AOC3ESR1ESR2KCNN4NR1H2
SCHEMBL2271603 0.70 KCNN4 (0.36) AOC3ESR1ESR2KCNN4NR1H2
SCHEMBL564255 0.69 NR1H2 (0.39) AOC3ESR1ESR2NR1H2NR1H3
SCHEMBL272814 0.69 NR1H2 (0.39) AOC3ESR1ESR2NR1H2NR1H3
SCHEMBL152027 0.69 NR1H2 (0.39) AOC3ESR1ESR2NR1H2NR1H3
SCHEMBL3526796 0.67 ESR1 (0.37) AOC3ESR1ESR2KCNN4NR1H2
SCHEMBL3888384 0.67 ESR1 (0.37) AOC3ESR1ESR2KCNN4NR1H2
SCHEMBL29749402 0.67 ESR1 (0.37) AOC3ESR1ESR2KCNN4NR1H2
SCHEMBL20328588 0.67 ESR1 (0.37) AOC3ESR1ESR2KCNN4NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 US disclosed
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2004-05-06 US disclosed
EP-1351926-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES Draximage, Inc. (CA) 2003-10-15 EP disclosed
US-6623721-B2 Conjugates can be complexed to a radioisotope metallic element and used for diagnosing or treating receptor-positive tumors DRAXIMAGE, INC. (CA) 2003-09-23 US disclosed
WO-2002068379-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES DRAXIMAGE, INC. (CA) 2002-09-06 WO disclosed
US-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2002-06-20 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-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 AOC3 2123/4885ESR1 3740/4885ESR2 3143/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 AOC3 2123/4885ESR1 3740/4885ESR2 3143/4885

“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.