SCHEMBL3982548

SCHEMBL3982548

C=CB(Oc1cccc(C(F)(F)F)c1)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 4/20 0.40
PPARA Q07869 1/20 0.40
IDO1 P14902 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 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
SCHEMBL31612146 0.82 MGLL (0.47) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL1483908 0.82 MGLL (0.47) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL737221 0.79 MGLL (0.53) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL8593767 0.79 MGLL (0.53) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL5628003 0.77 NFE2L2 (0.41) MAOBMAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL9797305 0.76 MAOB (0.43) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL535445 0.76 TSHR (0.48) MAOBAOC3MGLLTSHRMAPK1
SCHEMBL9798371 0.76 LTA4H (0.54) MAOBAOC3TSHRMAPK1L3MBTL1
SCHEMBL817396 0.75 MAOB (0.52) MAOBAOC3MAPK1L3MBTL1ALDH1A1
SCHEMBL22731917 0.74 MAOB (0.44) MAOBAOC3MGLLL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP claimed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO claimed
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP disclosed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
US-20060020004-A1 Isoxazolidine compounds for treatment of bacterial infections INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 US disclosed
WO-2006009907-A2 ISOXAZOLIDINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 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-20060020004-A1 Isoxazolidine compounds for treatment of bacterial infections QDPR, NQO2, SQLE MAOB 160/4885AOC3 1437/4885MGLL 1990/4885

“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.