SCHEMBL4549093

SCHEMBL4549093

Cc1ccc2c(c1)OCC(c1ccc(O[Si](C)(C)C(C)(C)C)cc1C)=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TYR P14679 1/20 0.31
ALOX5 P09917 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
SCHEMBL4549085 0.81 TYR (0.39) CA12CA9RARARARGNPC1
SCHEMBL19197256 0.78 PREP (0.39) PREPCA12CA1CA9KDM4E
SCHEMBL4549088 0.78 MAOB (0.35) CA12CA9KDM4ENPC1ALDH1A1
SCHEMBL26768290 0.77 PREP (0.41) PREPCA12CA1CA9KDM4E
SCHEMBL1960046 0.72 MAOB (0.47) KDM4ENPC1ALDH1A1MAPTNFKB1
SCHEMBL745706 0.71 MAPT (0.53) PREPCA12CA1CA9KDM4E
SCHEMBL19646242 0.70 CA12 (0.42) PREPCA12CA1CA9KDM4E
SCHEMBL26768663 0.70 PREP (0.41) PREPCA12CA1CA9KDM4E
SCHEMBL14277778 0.69 ESR1 (0.37) PREPCA12CA1CA9MAPT
SCHEMBL12786001 0.69 CA12 (0.43) PREPCA12CA1CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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 (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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 PREP 704/4885CA12 228/4885CA1 1628/4885

“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.