SCHEMBL3432285

SCHEMBL3432285

COC(=O)C(C)(C)Oc1cccc(OCCOc2cccc(O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.42
FBP1 P09467 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL2876513 0.94 KDM4E (0.50) KDM4EMTNR1AMTNR1BFBP1PPARD
SCHEMBL4607275 0.90 CYP3A4 (0.51) CHRNB2CHRNA4CYP3A4HIF1AFBP1
SCHEMBL5892268 0.87 PPARA (0.47) KDM4EMTNR1AMTNR1BFBP1PPARD
SCHEMBL5892294 0.86 PPARA (0.46) KDM4EMTNR1AMTNR1BFBP1PPARD
SCHEMBL5737876 0.83 CYP3A4 (0.45) CYP3A4PPARA
SCHEMBL13069642 0.81 CES2 (0.49) MTNR1AMTNR1B
SCHEMBL197882 0.77 PPARA (0.64) CNR1CYP3A4FBP1PPARA
SCHEMBL6310133 0.76 MRGPRX4 (0.54) PPARDPPARA
SCHEMBL1470185 0.76 CHRNB2 (0.69) CHRNB2CHRNA4CNR1CNR2DRD2
SCHEMBL29510932 0.76 CHRNB2 (0.69) CHRNB2CHRNA4CNR1CNR2DRD2

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
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US claimed
WO-2004113266-A1 DERIVATIVES OF PHENYLALKYL AND PHENOXYALKYL ACIDS FOR THE TREATMENT OF THE HYPERGLYCAEMIA AND HYPERTRIGLYCERIDAEMIA AND TYPE 2 DIABETES AND PROCESS FOR PREPARING THEM SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-12-29 WO claimed
EP-1474387-B1 DERIVATIVES OF ALPHA-PHENYLTHIOCARBOXYLIC AND ALPHA-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPAR ALPHA ACTIVATION SIGMA TAU IND FARMACEUTI (IT) 2010-11-24 EP disclosed
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US disclosed
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P. A 2005-03-10 US disclosed
WO-2004113266-A1 DERIVATIVES OF PHENYLALKYL AND PHENOXYALKYL ACIDS FOR THE TREATMENT OF THE HYPERGLYCAEMIA AND HYPERTRIGLYCERIDAEMIA AND TYPE 2 DIABETES AND PROCESS FOR PREPARING THEM SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-12-29 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 (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-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation PPARA, PPARD, PPARG CHRNB2 4168/4885CHRNA4 4196/4885KDM4E 3576/4885
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation PPARG, PPARA, PPARD CHRNB2 4249/4885CHRNA4 4007/4885KDM4E 3947/4885

“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.