SCHEMBL5483429

SCHEMBL5483429

COc1cc(C=O)cc(C)c1OC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.45
PPARD Q03181 10/20 0.45
PPARG P37231 4/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
SRC P12931 1/20 0.42
KCNH2 Q12809 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRIM24 O15164 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TSHR P16473 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
SCHEMBL5472116 0.88 PPARA (0.53) PPARAPPARDPPARGSRCKCNH2
SCHEMBL14414930 0.85 ALDH1A1 (0.40) PPARAPPARDPPARGALDH1A1MAPK1
SCHEMBL5479986 0.84 FBP1 (0.46) PPARAALDH1A1MAPK1SRCKDM4E
SCHEMBL5045913 0.78 ALDH1A1 (0.52) ALDH1A1MAPK1SRCHPGDKDM4E
SCHEMBL5472572 0.77 PPARA (0.40) PPARAPPARDPPARGKCNH2
SCHEMBL814816 0.76 FBP1 (0.45) PPARAALDH1A1MAPK1HPGDKDM4E
SCHEMBL24110815 0.76 TUBB4A (0.52) ALDH1A1MAPK1SRCHPGDTRIM24
SCHEMBL20702486 0.76 SRC (0.46) PPARAPPARDPPARGALDH1A1SRC
SCHEMBL6362308 0.75 FBP1 (0.47) PPARAPPARDPPARGALDH1A1KDM4E
SCHEMBL23158257 0.74 PPARA (0.52) PPARAPPARDPPARGKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same DAIICHI PHARMACEUTICAL CO., LTD. 2007-09-06 US disclosed
EP-1731513-A1 PHENOXYACETIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-13 EP 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-20070208021-A1 Phenoxyacetic Acid Derivatives and Drug Comprising The Same PPARA, PPARG, PPARD PPARA 1/4885PPARD 3/4885PPARG 2/4885

“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.