SCHEMBL29097076

SCHEMBL29097076

CCOCCOCCOCCOc1ccc(C[C@H](O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
THRA P10827 1/20 0.41
HTT P42858 1/20 0.41
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 1/20 0.38
RARB P10826 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL27028864 1.00 ACACB (0.49) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL29097079 1.00 ACACB (0.49) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL27300479 1.00 ACACB (0.49) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL27300467 1.00 ACACB (0.49) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL29097077 1.00 ACACB (0.49) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL29926062 0.89 PPARA (0.42) ACACBITGB3ITGA2BTHRAHTT
SCHEMBL29926007 0.87 ACACB (0.53) ACACBTHRAPPARAPPARGPPARD
SCHEMBL27029000 0.87 ACACB (0.53) ACACBTHRAPPARAPPARGPPARD
SCHEMBL27028869 0.87 ACACB (0.53) ACACBTHRAPPARAPPARGPPARD
SCHEMBL29926358 0.86 ACACB (0.39) ACACBITGB3ITGA2BTHRAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AG (DE) 2026-03-26 US disclosed
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4308551-B1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AG (DE) 2025-04-09 EP 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
CN-116981658-A Novel contrast agents for magnetic resonance imaging 拜耳股份有限公司 2023-10-31 CN disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO disclosed
EP-4059925-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2022-09-21 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-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC ACACB 500/4885ITGB3 184/4885ITGA2B 606/4885

“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.