SCHEMBL20162239

SCHEMBL20162239

CCOc1ccc(CC(C(=O)OC(C)C)C(=O)OC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.51
LDHA P00338 1/20 0.47

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
SCHEMBL20162233 0.89 LMNA (0.54) ACACB
SCHEMBL20395698 0.85 PPARG (0.62) ACACBLDHA
SCHEMBL20162264 0.85 LDHA (0.67) ACACBLDHA
SCHEMBL11242410 0.83 LDHA (0.68) ACACBLDHA
SCHEMBL16669459 0.80 LDHA (0.42) LDHA
SCHEMBL20162271 0.80 FOS (0.46) LDHA
SCHEMBL16732096 0.80 TSHR (0.58) LDHA
SCHEMBL27928968 0.79 ACACB (0.52) ACACB
SCHEMBL7752956 0.78 ACACB (0.55) ACACB
SCHEMBL8338687 0.78 GAA (0.46) ACACB

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 ACACB 1406/4885LDHA 3865/4885

“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.