SCHEMBL5789320

SCHEMBL5789320

CC/C(C(=O)O)=C1/CCCc2cc(OCc3cccc(Oc4ccccc4)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.51
MAOB P27338 10/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 6/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5789323 1.00 MAOA (0.51) MAOAMAOBNPC1RAB9APOLB
SCHEMBL5788483 0.84 MAOB (0.54) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL5788481 0.84 MAOB (0.54) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL3450504 0.79 MAOA (0.54) MAOAMAOBNPC1RAB9APOLB
SCHEMBL3450500 0.79 MAOA (0.54) MAOAMAOBNPC1RAB9APOLB
SCHEMBL13110402 0.78 MAOA (0.48) MAOAMAOBNPC1RAB9APOLB
SCHEMBL5787402 0.77 KDM4E (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL5787405 0.77 KDM4E (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL5788075 0.74 FFAR1 (0.47) MAOAMAOBNPC1RAB9APOLB
SCHEMBL3450014 0.73 FFAR1 (0.53) MAOAMAOBNPC1RAB9APOLB

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-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 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-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR MAOA 4002/4885MAOB 3684/4885NPC1 2765/4885

“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.