SCHEMBL4474110

SCHEMBL4474110

O=C(CO)Oc1coc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.47
MAOA P21397 3/20 0.40
ADORA2B P29275 3/20 0.40
PSMB5 P28074 5/20 0.39
PSMB8 P28062 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5164924 0.81 MAOB (0.54) MAOBMAOAADORA2BMEN1ALDH1A1
SCHEMBL5761877 0.79 TSHR (0.50) MAOBMAOAADORA2BL3MBTL1MEN1
SCHEMBL10487747 0.78 ALDH1A1 (0.37) MAOBMAOAMEN1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL5763481 0.78 TSHR (0.49) MAOBMAOAADORA2BL3MBTL1MEN1
SCHEMBL31722071 0.76 MAOB (0.46) MAOBMAOAADORA2BPSMB5PSMB8
SCHEMBL4784331 0.76 MAOB (0.46) MAOBMAOAADORA2BPSMB5PSMB8
SCHEMBL7443073 0.76 MAOB (0.46) MAOBMAOAADORA2BPSMB5PSMB8
SCHEMBL13134177 0.75 MAOB (0.45) MAOBMAOAADORA2BMEN1ALDH1A1
SCHEMBL13134182 0.75 MAOB (0.45) MAOBMAOAADORA2BPSMB5PSMB8
SCHEMBL10765497 0.72 IDO1 (0.50) MAOBMAOAPSMB5ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO 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-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD MAOB 2020/4885MAOA 2311/4885ADORA2B 2049/4885

“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.