SCHEMBL4556779

SCHEMBL4556779

CCCCOc1ccc2c(c1)OCC(c1ccc(OCOC)cc1OCCCC)=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALOX5 P09917 2/20 0.36
MAOB P27338 5/20 0.36
MAOA P21397 2/20 0.36
GCGR P47871 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ROR1 Q01973 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP19A1 P11511 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4556548 0.91 ALOX5 (0.42) THRATHRBALOX5MAOBMAOA
SCHEMBL1962780 0.82 MAOB (0.51) ALOX5MAOBMAOAALDH1A1MAPT
SCHEMBL4557811 0.79 ALOX5 (0.35) THRATHRBALOX5MAOBMAOA
SCHEMBL2937052 0.77 RARA (0.40) ALOX5MAOBMAOAALDH1A1MAPT
SCHEMBL4556762 0.77 CYP2D6 (0.42) ALOX5ALDH1A1MAPTNPC1RAB9A
SCHEMBL12946430 0.76 ALOX5 (0.43) ALOX5MAOBALDH1A1MAPTMEN1
SCHEMBL4549088 0.76 MAOB (0.35) ALOX5MAOBMAOAALDH1A1MAPT
SCHEMBL2688515 0.72 MAOB (0.53) ALOX5MAOBMAOAALDH1A1MAPT
SCHEMBL2328053 0.70 ALOX5 (0.41) ALOX5MAOBMAOAALDH1A1MAPT
SCHEMBL14231474 0.70 MEN1 (0.51) GCGRALDH1A1MAPTMEN1NPC1

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-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
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 THRA 3562/4885THRB 3674/4885ALOX5 1358/4885

“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.