SCHEMBL29925940

SCHEMBL29925940

CCCCOc1ccc(C[C@@H](O)C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
PDE4A P27815 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ACACB O00763 2/20 0.53
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL14392111 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7041092 0.88 PPARG (0.51) ACACBPPARGPPARDPPARA
SCHEMBL14532665 0.88 LMNA (0.51) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7041634 0.87 PPARG (0.50) ACACBPPARGPPARDPPARA
SCHEMBL28512690 0.86 PPARG (0.67) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL13804958 0.84 LMNA (0.54) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL29096914 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL27301150 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL10084808 0.84 ACACB (0.55) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12473156 0.84 ACACB (0.55) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A

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 SMN1; SMN2 2305/4885KDM4E 4512/4885CYP1A2 2508/4885

“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.