SCHEMBL4556789

SCHEMBL4556789

CCCCOc1ccc(C(=O)COc2cc(OCCCC)ccc2C(O)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MMP1 P03956 1/20 0.44
PLA2G4B P0C869 4/20 0.44
RARB P10826 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL15177162 0.80 MAPT (0.43) L3MBTL1MMP1PLA2G4BRARBTP53
SCHEMBL4556801 0.78 TSHR (0.51) L3MBTL1MMP1PLA2G4BTP53TSHR
SCHEMBL31111454 0.77 CYSLTR2 (0.45) PLA2G4BRARBTHRATHRBALDH1A1
SCHEMBL4556519 0.75 LTA4H (0.50) L3MBTL1ALDH1A1NPC1
SCHEMBL4549099 0.75 MAPK1 (0.52) L3MBTL1PLA2G4BALDH1A1NPC1
SCHEMBL12947237 0.73 MAPT (0.46) L3MBTL1PLA2G4BALDH1A1NPC1
SCHEMBL13303326 0.72 LTA4H (0.55)
SCHEMBL18917595 0.72 L3MBTL1 (0.63) L3MBTL1MMP1PLA2G4BRARBTP53
SCHEMBL9504211 0.70 RARB (0.82) PLA2G4BRARBTP53TSHR
SCHEMBL7631505 0.70 MMP1 (0.57) L3MBTL1MMP1PLA2G4BTP53TSHR

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 L3MBTL1 4827/4885MMP1 2939/4885PLA2G4B 1842/4885

“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.