SCHEMBL4893726

SCHEMBL4893726

COC(=O)/C=C(\N)C(C)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SLC1A5 Q15758 1/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4893732 1.00 PDCD1 (0.56) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL4894338 0.74 PDCD1 (0.60) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL296543 0.73 PDCD1 (1.00) PDCD1CD274SMN1; SMN2KDM4ELMNA
SCHEMBL17073789 0.72 LTB4R (0.54) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL1324998 0.72 PDCD1 (0.72) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL1105491 0.71 TSHR (0.75) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL27515674 0.70 PDCD1 (0.69) PDCD1CD274SMN1; SMN2KDM4EEGFR
SCHEMBL3899178 0.70 KMT2A (0.55) PDCD1CD274SMN1; SMN2KDM4ELMNA
SCHEMBL14399728 0.70 TSHR (0.38) ALDH1A1TSHR
SCHEMBL12837607 0.70 PDCD1 (0.62) PDCD1CD274SMN1; SMN2KDM4EEGFR

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 8 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

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 3873/4885SMN1; SMN2 4607/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PDCD1 3714/4885CD274 3873/4885SMN1; SMN2 4607/4885

“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.