SCHEMBL20162252

SCHEMBL20162252

CCOc1cc(CC(C(=O)OC)C(=O)OC)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.48
FOS P01100 1/20 0.48
TTR P02766 1/20 0.48
JUN P05412 1/20 0.48
NR3C1 P04150 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LDHA P00338 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP1 P03956 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 2/20 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
SCHEMBL20162253 0.89 PPARG (0.47) FOSTTRJUNNR3C1HSD17B1
SCHEMBL934471 0.87 FOS (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162271 0.86 FOS (0.46) TOP2AFOSTTRJUNNR3C1
SCHEMBL933495 0.86 HSD17B2 (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162248 0.84 PPARG (0.43) ALDH1A1LDHAKDM4EPPARGPPARD
SCHEMBL490769 0.81 HSD17B2 (0.60) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4329789 0.81 CYP2D6 (0.56) ALDH1A1LDHAKDM4EPPARGPPARD
SCHEMBL934771 0.80 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL933477 0.79 FOS (0.54) FOSTTRJUNNR3C1HSD17B1
SCHEMBL17111402 0.78 FOS (0.49) TOP2AFOSTTRJUNNR3C1

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 TOP2A 838/4885FOS 43/4885TTR 682/4885

“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.