SCHEMBL4031114

SCHEMBL4031114

CC(C)c1ccc(CC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)OCc4ccccc4)c3)C2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.80
BCL9 O00512 17/20 0.73
CTNNB1 P35222 17/20 0.73
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4027327 0.92 BCL9 (0.86) PPARABCL9CTNNB1
SCHEMBL4033161 0.91 BCL9 (0.69) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL30498765 0.89 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030653 0.89 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4029011 0.89 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4030088 0.89 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL29402050 0.89 PPARA (1.00) PPARABCL9CTNNB1
SCHEMBL4027999 0.89 BCL9 (0.76) PPARABCL9CTNNB1
SCHEMBL4033234 0.88 BCL9 (0.79) PPARABCL9CTNNB1ALDH1A1RAB9A
SCHEMBL4033233 0.88 BCL9 (0.79) PPARABCL9CTNNB1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070281935-A1 Use PFIZER INC. (US) 2007-12-06 US disclosed
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants GOETZE LEOPOLD F 2007-10-04 US disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1765320-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS Pfizer Products Incorporated (US) 2007-03-28 EP disclosed
EP-1753426-A2 RUMINANT TREATMENTS Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
WO-2005115369-A2 USE OF PPAR AGONISTS TO TREAT RUMINANTS PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
WO-2005115389-A2 SPECIFIC PPAR AGONISTS FOR TREATING NEGATIVE ENERGY BALANCE PFIZER PRODUCTS INC. (US) 2005-12-08 WO disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (4 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD PPARA 1/4885BCL9 2684/4885CTNNB1 2280/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD PPARA 1/4885BCL9 2684/4885CTNNB1 2280/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS PPARA 700/4885BCL9 3385/4885CTNNB1 995/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA PPARA 3/4885BCL9 3397/4885CTNNB1 1557/4885

“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.