SCHEMBL29928639

SCHEMBL29928639

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.49
PPARA Q07869 7/20 0.49
ACACB O00763 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARD Q03181 7/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
KCNA5 P22460 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL27028866 1.00 PPARG (0.49) PPARGPPARAACACBKDM4ECYP1A2
SCHEMBL6937824 0.86 PPARG (0.45) PPARGPPARAPPARDITGB3ITGA2B
SCHEMBL14392322 0.85 PPARG (0.58) PPARGPPARAACACBKDM4ECYP1A2
SCHEMBL8816551 0.85 LDHA (0.51) PPARGPPARAACACB
SCHEMBL27029095 0.82 ACACB (0.49) PPARGPPARAACACBSMN1; SMN2NPC1
SCHEMBL27029034 0.80 PPARA (0.49) PPARGPPARAACACBPPARD
SCHEMBL29928782 0.80 PPARA (0.50) PPARGPPARAACACBPPARD
SCHEMBL27028976 0.80 PPARA (0.50) PPARGPPARAACACBPPARD
SCHEMBL27297551 0.80 PPARA (0.50) PPARGPPARAACACBPPARD
SCHEMBL5991826 0.79 PPARA (0.63) PPARGPPARAPPARDITGB3ITGA2B

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 6 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-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 PPARG 814/4885PPARA 2446/4885ACACB 500/4885

“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.