SCHEMBL4892226

SCHEMBL4892226

COC(=O)CCc1ccc(O)cc1CCNC(=O)OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
SPR P35270 3/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4884408 0.89 PPARG (0.43) HSP90AA1CA12CA1CA2CA7
SCHEMBL27589796 0.85 NQO2 (0.39) NQO2SPRMTNR1AMTNR1BHSP90AA1
SCHEMBL4893405 0.83 NQO2 (0.58) NQO2MTNR1AMTNR1BMAPTKDM4E
SCHEMBL4893266 0.78 NQO2 (0.39) NQO2HSP90AA1CA12CA1CA2
SCHEMBL3692384 0.78 PPARG (0.41) NQO2HSP90AA1CA12CA1CA2
SCHEMBL6662495 0.78 PPARG (0.52) HSP90AA1CA12CA1CA2CA7
SCHEMBL14110344 0.77 HMGCR (0.43) CYP1A2KDM4EALDH1A1CYP3A4HPGD
SCHEMBL4616924 0.77 ALDH1A1 (0.43) CYP1A2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL14110330 0.74 ALDH1A1 (0.42) CYP1A2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL27589635 0.74 PPARG (0.47) HSP90AA1CYP1A2ALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD NQO2 3173/4885SPR 1937/4885MTNR1A 496/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD NQO2 3173/4885SPR 1937/4885MTNR1A 496/4885

“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.