SCHEMBL4032391

SCHEMBL4032391

Cc1cc(C2CCCN(C(=O)C=Cc3ccc(C(F)(F)F)cc3)C2)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
MAPT P10636 4/20 0.47
GPR183 P32249 2/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PROKR1 Q8TCW9 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MYC P01106 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 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
SCHEMBL4032390 1.00 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4035242 0.93 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4035240 0.93 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5360497 0.86 BCL9 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5360492 0.86 BCL9 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4030726 0.84 PROKR1 (0.57) ALDH1A1RAB9AHPGDPROKR1MEN1
SCHEMBL4033182 0.83 MYC (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDHRH3
SCHEMBL4030020 0.79 HPGD (0.48) ALDH1A1SMN1; SMN2HPGDHRH3PROKR1
SCHEMBL4030825 0.79 BCL9 (0.54) BCL9CTNNB1PROKR1MYC
SCHEMBL4029181 0.78 BCL9 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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 14 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
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN 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
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN 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 ALDH1A1 2006/4885NPC1 199/4885RAB9A 3561/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD ALDH1A1 2006/4885NPC1 199/4885RAB9A 3561/4885
US-20070281935-A1 Use ALPP, CPT1A, PIGS ALDH1A1 1989/4885NPC1 1014/4885RAB9A 3764/4885
US-20070232647-A1 Use of Ppar Agonists to Treat Ruminants PPARG, PPARD, PPARA ALDH1A1 2089/4885NPC1 1996/4885RAB9A 3800/4885

“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.