SCHEMBL2631777

SCHEMBL2631777

Bc1ccc2c(c1)OCCC2=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.64
MAOA P21397 1/20 0.64
GRM5 P41594 9/20 0.54
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL2628149 0.89 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL16789730 0.85 MAOB (0.50) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL4728838 0.79 MAOB (0.66) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL569174 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL86965 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL1091999 0.78 MAOB (1.00) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL4726346 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL8578811 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL768839 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL14981170 0.78 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1

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-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP 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-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD MAOB 1632/4885MAOA 1423/4885GRM5 183/4885

“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.