SCHEMBL4894338

SCHEMBL4894338

COC(=O)CC(=O)C(C)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.60
CD274 Q9NZQ7 1/20 0.60
EGFR P00533 1/20 0.46
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SLC1A5 Q15758 1/20 0.43
PTPN1 P18031 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.43
UTS2R Q9UKP6 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 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
SCHEMBL296543 0.76 PDCD1 (1.00) PDCD1CD274RAB9AMAPTSMN1; SMN2
SCHEMBL1324998 0.75 PDCD1 (0.72) PDCD1CD274EGFRRAB9AMAPT
SCHEMBL570078 0.75 PDCD1 (0.72) PDCD1CD274EGFRRAB9AMAPT
SCHEMBL3821582 0.75 ERCC5 (0.62) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL25615625 0.74 PDCD1 (0.70) PDCD1CD274RAB9AMAPTSMN1; SMN2
SCHEMBL4915922 0.74 PDCD1 (0.70) PDCD1CD274EGFRMAPTSMN1; SMN2
SCHEMBL4893726 0.74 PDCD1 (0.56) PDCD1CD274EGFRRAB9AMAPT
SCHEMBL4893732 0.74 PDCD1 (0.56) PDCD1CD274EGFRRAB9AMAPT
SCHEMBL5514528 0.74 SMN1; SMN2 (0.54) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1105491 0.74 TSHR (0.75) PDCD1CD274EGFRRAB9AMAPT

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 11 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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN 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 PDCD1 3714/4885CD274 3873/4885EGFR 2276/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PDCD1 3714/4885CD274 3873/4885EGFR 2276/4885

“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.