SCHEMBL4549100

SCHEMBL4549100

Cc1ccc(C(c2ccc(OCc3ccccc3)cc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(OCC(=O)c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 2/20 0.42
PARP10 Q53GL7 2/20 0.42
EGFR P00533 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PLA2G4B P0C869 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL4549099 0.84 MAPK1 (0.52) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL2688725 0.77 RAB9A (0.51) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL4549078 0.71 RAB9A (0.50) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL9787125 0.69 PLA2G4B (0.67) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL13612529 0.68 MAOB (0.56) RAB9AMAPK1SMN1; SMN2L3MBTL1MAOB
SCHEMBL10797162 0.68 MAOB (0.67) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL13950675 0.68 LMNA (0.57) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL2687877 0.67 SMN1; SMN2 (0.55) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL1630447 0.67 NR4A1 (0.68) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1
SCHEMBL4364373 0.66 NR4A2 (0.55) RAB9AMAPK1SMN1; SMN2NPC1L3MBTL1

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 RAB9A 4107/4885MAPK1 2157/4885SMN1; 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.