SCHEMBL29926003

SCHEMBL29926003

CCOCCOCCOc1ccc([C@H]2O[C@@H]2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
EPHX2 P34913 2/20 0.41
THRA P10827 1/20 0.40
BCHE P06276 3/20 0.39
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 3/20 0.37
FFAR1 O14842 1/20 0.37
RARB P10826 1/20 0.36
ACACB O00763 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MMP9 P14780 3/20 0.35
MMP3 P08254 2/20 0.35
ADAM17 P78536 1/20 0.35
ADAM9 Q13443 1/20 0.35
MMP1 P03956 1/20 0.35

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
SCHEMBL29926072 1.00 TSHR (0.45) TSHREPHX2THRABCHECNR2
SCHEMBL29926150 1.00 TSHR (0.45) TSHREPHX2THRABCHECNR2
SCHEMBL27029082 1.00 TSHR (0.45) TSHREPHX2THRABCHECNR2
SCHEMBL29926358 0.88 ACACB (0.39) TSHREPHX2THRABCHECNR2
SCHEMBL29926060 0.88 ACACB (0.39) TSHREPHX2THRABCHECNR2
SCHEMBL27300562 0.86 TSHR (0.62) TSHREPHX2THRAKDM4EFFAR1
SCHEMBL27300493 0.86 TSHR (0.62) TSHREPHX2THRAKDM4EFFAR1
SCHEMBL27028952 0.86 TSHR (0.62) TSHREPHX2THRAKDM4EFFAR1
SCHEMBL27029071 0.86 TSHR (0.62) TSHREPHX2THRAKDM4EFFAR1
SCHEMBL27300495 0.86 TSHR (0.62) TSHREPHX2THRAKDM4EFFAR1

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 TSHR 637/4885EPHX2 1787/4885THRA 531/4885

“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.