SCHEMBL1709313

SCHEMBL1709313

CC[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.48
PPARA Q07869 9/20 0.48
EPHX2 P34913 8/20 0.48
ACACB O00763 2/20 0.47
PPARD Q03181 2/20 0.39
ELANE P08246 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL1709259 0.85 ACACB (0.47) PPARGPPARAEPHX2ACACBPPARD
SCHEMBL1703013 0.83 ACACB (0.48) PPARGPPARAEPHX2ACACBELANE
SCHEMBL20363264 0.81 ACACB (0.52) PPARGPPARAACACBELANELDHA
SCHEMBL1709335 0.81 ESR1 (0.47) PPARGPPARAEPHX2
SCHEMBL1709341 0.79 CYP1A2 (0.60) PPARGEPHX2
SCHEMBL20363241 0.79 ACACB (0.50) PPARGPPARAACACBELANELDHA
SCHEMBL27420078 0.78 ACACB (0.49) PPARGPPARAACACBELANELDHA
SCHEMBL1709306 0.75 HTR2A (0.47)
SCHEMBL27422712 0.74 ACACB (0.46) PPARGPPARAACACBELANELDHA
SCHEMBL4620389 0.74 LDHA (0.55) PPARGPPARAEPHX2ACACBLDHA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO PPARG 773/4885PPARA 766/4885EPHX2 316/4885

“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.