SCHEMBL5042411

SCHEMBL5042411

Cc1ccc(C=O)c(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PREP P48147 2/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNJ1 P48048 1/20 0.31
CA2 P00918 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 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
SCHEMBL6904874 0.83 CA1 (0.32) ALDH1A1PREPCA1CA12CA9
SCHEMBL9906779 0.82 ALOX5AP (0.35) PREPCA1CA12CA9CA2
SCHEMBL5139277 0.81 ALDH1A1 (0.40) ALDH1A1TSHRCA1KDM4EMAPT
SCHEMBL6907417 0.81 PREP (0.32) ALDH1A1PREPCA1CA12CA9
SCHEMBL6907566 0.77 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL5179449 0.77 LMNA (0.42) ALDH1A1TSHRKDM4EMEN1MAPT
SCHEMBL2199657 0.77 CA12 (0.48) ALDH1A1PREPTSHRCA1CA12
SCHEMBL13876764 0.77 KCNJ1 (0.34) ALDH1A1PREPCA1CA12CA9
SCHEMBL22230872 0.76 ALDH1A1 (0.40) ALDH1A1TSHRCA1KDM4EMAPT
SCHEMBL6907401 0.76 ALDH1A1 (0.31) ALDH1A1CA1CA12CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
EP-1601348-A4 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE INC (US) 2008-12-10 EP disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 EP disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 US disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT ALDH1A1 553/4885PREP 1963/4885TSHR 4871/4885

“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.