SCHEMBL4033161

SCHEMBL4033161

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 17/20 0.69
CTNNB1 P35222 17/20 0.69
PPARA Q07869 1/20 0.66
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4031114 0.91 PPARA (0.80) BCL9CTNNB1PPARARAB9AALDH1A1
SCHEMBL4027999 0.89 BCL9 (0.76) BCL9CTNNB1PPARA
SCHEMBL4027327 0.89 BCL9 (0.86) BCL9CTNNB1PPARA
SCHEMBL4026925 0.89 PPARA (0.79) BCL9CTNNB1PPARAMAPTNPC1
SCHEMBL4028273 0.89 PPARA (0.79) BCL9CTNNB1PPARAMAPTNPC1
SCHEMBL4026575 0.89 PPARA (0.79) BCL9CTNNB1PPARAMAPTNPC1
SCHEMBL4033234 0.85 BCL9 (0.79) BCL9CTNNB1PPARAMAPTNPC1
SCHEMBL4033233 0.85 BCL9 (0.79) BCL9CTNNB1PPARAMAPTNPC1
SCHEMBL4027812 0.83 BCL9 (0.86) BCL9CTNNB1PPARA
SCHEMBL4032481 0.82 PPARA (0.74) BCL9CTNNB1PPARAMAPTNPC1

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-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP 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-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 (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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD BCL9 2684/4885CTNNB1 2280/4885PPARA 1/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD BCL9 2684/4885CTNNB1 2280/4885PPARA 1/4885

“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.