SCHEMBL5861986

SCHEMBL5861986

COC(=O)CC1COc2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
CYP19A1 P11511 9/20 0.48
HDAC1 Q13547 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR1A P08908 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL25082599 0.86 MAOB (0.53) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL25082372 0.86 MAOB (0.53) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL13378964 0.84 MAOB (0.60) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL4040703 0.82 MAOB (0.66) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL5859931 0.82 MAOB (0.41) MAOBCYP19A1POLBGAAALDH1A1
SCHEMBL21979154 0.81 PPARG (0.49) POLBGAAALDH1A1NPSR1NPC1
SCHEMBL5858965 0.78 MAOB (0.41) MAOBCYP19A1POLBGAAALDH1A1
SCHEMBL11739702 0.77 MAOB (0.52) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL12164223 0.77 MAOB (0.67) MAOBCYP19A1HDAC1SIGMAR1HTR1A
SCHEMBL1059845 0.77 MAOB (0.66) MAOBCYP19A1HDAC1SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 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 (3 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-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAOB 3174/4885CYP19A1 509/4885HDAC1 251/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAOB 3174/4885CYP19A1 509/4885HDAC1 251/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG MAOB 3174/4885CYP19A1 509/4885HDAC1 251/4885

“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.