SCHEMBL20162248

SCHEMBL20162248

CCOc1cc(CC(C(=O)OC)C(=O)OC)cc(OCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 4/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTPRB P23467 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LDHA P00338 1/20 0.40
ROCK2 O75116 2/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MMP8 P22894 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
SCHEMBL20162255 0.88 PPARG (0.44) PPARGPPARDPPARACYP3A4ALDH1A1
SCHEMBL20162238 0.85 LDHA (0.50) CYP3A4KDM4ECYP2D6CYP2C19LDHA
SCHEMBL20395550 0.85 LDHA (0.50) PPARGPPARDPPARACYP3A4ALDH1A1
SCHEMBL20162240 0.85 CYP2D6 (0.39) CYP3A4ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL20162252 0.84 TOP2A (0.48) PPARGPPARDPPARACYP3A4ALDH1A1
SCHEMBL491022 0.79 LDHA (0.47) ALDH1A1KDM4ELDHAMMP8
SCHEMBL11492029 0.78 GSR (0.46) PPARGPPARDPPARACYP3A4ALDH1A1
SCHEMBL20395678 0.76 ALDH1A1 (0.45) PPARGCYP3A4ALDH1A1CYP2C9CYP2D6
SCHEMBL4329789 0.76 CYP2D6 (0.56) PPARGPPARDPPARAALDH1A1PTPRB
SCHEMBL20395698 0.74 PPARG (0.62) PPARGPPARDPPARAPTPRBLDHA

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.