SCHEMBL4549099

SCHEMBL4549099

Cc1ccc(C(=O)COc2cc(C)ccc2C(O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 3/20 0.45
EGFR P00533 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
PARP10 Q53GL7 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SCN2A Q99250 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL2688725 0.91 RAB9A (0.51) MAPK1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL4549100 0.84 RAB9A (0.51) MAPK1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL4549105 0.78 MAOB (0.54) LMNAMAOBMAPTGAAHTT
SCHEMBL4556789 0.75 L3MBTL1 (0.46) NPC1L3MBTL1ALDH1A1PLA2G4B
SCHEMBL4549078 0.74 RAB9A (0.50) MAPK1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL2578523 0.73 SGMS2 (0.54) MAPK1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL2516365 0.73 MAPT (0.52) SMN1; SMN2L3MBTL1LMNATDP1MAOB
SCHEMBL18637039 0.72 MAOB (0.51) MAPK1RAB9ASMN1; SMN2NPC1MAOB
SCHEMBL9787125 0.72 PLA2G4B (0.67) MAPK1RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL5266803 0.71 LMNA (0.46) LMNAMAOBALDH1A1MAPTGAA

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 MAPK1 2157/4885RAB9A 4107/4885SMN1; SMN2 4139/4885

“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.