SCHEMBL20162255

SCHEMBL20162255

CCCOc1cc(CC(C(=O)OC)C(=O)OC)cc(OCCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PTPRB P23467 1/20 0.40
ALOX5 P09917 1/20 0.39
LDHA P00338 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20162248 0.88 PPARG (0.43) PPARGPPARDPPARAALDH1A1CYP3A4
SCHEMBL20395656 0.86 SMN1; SMN2 (0.41) PPARGPPARDPPARAALDH1A1CYP3A4
SCHEMBL20162253 0.85 PPARG (0.47) PPARGPPARDPPARACYP3A4SMN1; SMN2
SCHEMBL20395550 0.83 LDHA (0.50) PPARGPPARDPPARAALDH1A1CYP3A4
SCHEMBL20395674 0.79 ALDH1A1 (0.44) PPARGALDH1A1CYP3A4CYP2C9SMN1; SMN2
SCHEMBL20395690 0.76 PPARG (0.67) PPARGPPARDPPARAPTPRBLDHA
SCHEMBL491022 0.74 LDHA (0.47) ALDH1A1ALOX5LDHAKDM4E
SCHEMBL20162240 0.73 CYP2D6 (0.39) ALDH1A1CYP3A4SMN1; SMN2LDHAHSD17B10
SCHEMBL29200149 0.73 PTGS2 (0.42) ALDH1A1ALOX5MAPTHSD17B10KDM4E
SCHEMBL20162238 0.73 LDHA (0.50) CYP3A4SMN1; SMN2LDHAHSD17B10KDM4E

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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 PPARG 198/4885PPARD 339/4885PPARA 249/4885

“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.