SCHEMBL12866209

SCHEMBL12866209

COc1cc2c(c(O)c1CC=C(C)C)C(=O)C(c1ccc(O)cc1O)CO2

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.82
TYR P14679 3/20 0.59
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
HSP90AA1 P07900 1/20 0.52
IDO1 P14902 2/20 0.49
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRB2 P47870 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
SCHEMBL29516022 1.00 PTPN1 (0.82) PTPN1TYRPDCD1CD274HSP90AA1
SCHEMBL30523853 0.90 PTPN1 (0.81) PTPN1TYRHSP90AA1IDO1GABRA1
Licorisoflavan A SCHEMBL29907989 0.84 PTPN1 (0.88) PTPN1TYRPDCD1CD274HSP90AA1
SCHEMBL30288230 0.81 PTPN1 (0.81) PTPN1TYRHSP90AA1ACHEGABRA1
SCHEMBL5614193 0.80 PTPN1 (1.00) PTPN1TYRHSP90AA1ACHEGABRA1
SCHEMBL29375421 0.80 PTPN1 (1.00) PTPN1TYRHSP90AA1ACHEGABRA1
SCHEMBL571650 0.79 HSP90AA1 (0.77) PTPN1TYRHSP90AA1IDO1ACHE
SCHEMBL30631321 0.78 PTPN1 (0.81) PTPN1TYRHSP90AA1ACHE
Water SCHEMBL1999608 0.78 HSP90AA1 (0.76) PTPN1TYRHSP90AA1IDO1ACHE
SCHEMBL26112000 0.78 PTPN1 (0.81) PTPN1TYRHSP90AA1ACHE

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
US-7888388-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2011-02-15 US disclosed
US-7888388-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2011-02-15 US disclosed
US-7524975-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2009-04-28 US disclosed
US-7524975-B2 Peroxisome proliferator activated receptor ligand and process for producing the same KANEKA CORPORATION (JP) 2009-04-28 US disclosed
US-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2009-02-05 US disclosed
US-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2009-02-05 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 (1 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-20090036519-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR LIGAND AND PROCESS FOR PRODUCING THE SAME PPARG, PPARA, PPARD PTPN1 945/4885TYR 3814/4885PDCD1 2804/4885

“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.