SCHEMBL20162271

SCHEMBL20162271

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.43
TOP2A P11388 1/20 0.43
ALOX15 P16050 4/20 0.43
ALOX12 P18054 1/20 0.43
LDHA P00338 1/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20162275 0.90 FOS (0.43) FOSTTRJUNNR3C1HSD17B1
SCHEMBL168609 0.86 FOS (0.63) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162252 0.86 TOP2A (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL935389 0.86 HSD17B2 (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162240 0.85 CYP2D6 (0.39) ALDH1A1CYP2D6CYP2C19KDM4ETSHR
SCHEMBL934771 0.83 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162239 0.80 ACACB (0.51) LDHA
SCHEMBL17111402 0.79 FOS (0.49) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12799916 0.78 FOS (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL17111373 0.77 FOS (0.53) FOSTTRJUNNR3C1HSD17B1

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 FOS 43/4885TTR 682/4885JUN 756/4885

“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.