SCHEMBL5452793

SCHEMBL5452793

COC(=O)C(C(C)=O)c1coc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
PSMB5 P28074 5/20 0.42
PSMB8 P28062 3/20 0.42
NQO1 P15559 1/20 0.42
PTGES O14684 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CMA1 P23946 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADORA2B P29275 1/20 0.38
MAOA P21397 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
SCHEMBL12911151 0.85 CMA1 (0.43) MAOBPSMB5PSMB8NQO1PTGES
SCHEMBL5447303 0.82 ALDH1A1 (0.50) PTGS2NPC1MAPTRAB9AALDH1A1
SCHEMBL12911144 0.73 CMA1 (0.40) MAOBPSMB5PSMB8PTGESPTGS2
SCHEMBL29076119 0.73 MAOB (0.48) MAOBPSMB5NQO1PTGESPTGS2
SCHEMBL29076121 0.73 MAOB (0.48) MAOBPSMB5NQO1PTGESPTGS2
SCHEMBL12987640 0.73 MAOB (0.56) MAOBPSMB5PSMB8MAPTALDH1A1
SCHEMBL12911148 0.73 CMA1 (0.44) MAOBPSMB5PSMB8NPC1MAPT
SCHEMBL16376975 0.72 ALDH1A1 (0.49) MAPTALDH1A1L3MBTL1
SCHEMBL27598322 0.72 ALDH1A1 (0.49) ALDH1A1L3MBTL1
SCHEMBL23116703 0.72 MAOB (0.55) MAOBPSMB5PSMB8MAPTALDH1A1

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-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 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 (2 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 MAOB 1769/4885PSMB5 2396/4885PSMB8 1197/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 MAOB 4254/4885PSMB5 2390/4885PSMB8 2436/4885

“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.