SCHEMBL27028895

SCHEMBL27028895

CCOCCOCCOc1ccc(C[C@H](O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
PPARA Q07869 9/20 0.48
PPARG P37231 8/20 0.48
PPARD Q03181 6/20 0.48
THRA P10827 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RARB P10826 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
EPHX2 P34913 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL27128110 1.00 ACACB (0.54) ACACBPPARAPPARGPPARDTHRA
SCHEMBL27128392 1.00 ACACB (0.54) ACACBPPARAPPARGPPARDTHRA
SCHEMBL27029038 1.00 ACACB (0.54) ACACBPPARAPPARGPPARDTHRA
SCHEMBL27028999 1.00 ACACB (0.54) ACACBPPARAPPARGPPARDTHRA
SCHEMBL27028997 1.00 ACACB (0.54) ACACBPPARAPPARGPPARDTHRA
SCHEMBL8953657 0.89 ACACB (0.50) ACACBPPARAPPARGPPARDLMNA
SCHEMBL7512809 0.89 ACACB (0.50) ACACBPPARAPPARGPPARDLMNA
SCHEMBL27654994 0.88 PPARG (0.54) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL29926007 0.87 ACACB (0.53) ACACBPPARAPPARGPPARDTHRA
SCHEMBL27028869 0.87 ACACB (0.53) ACACBPPARAPPARGPPARDTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-06-06 US disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335462-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer AG (DE) 2024-03-13 EP disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 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-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 ACACB 4397/4885PPARA 3430/4885PPARG 2434/4885

“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.