SCHEMBL29928332

SCHEMBL29928332

CCOc1ccc(/C=C/CC[C@@H](C(=O)OC)N2CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 8/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
POLB P06746 2/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL29926314 0.96 MEN1 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29926507 0.93 MEN1 (0.36) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL27028990 0.91 NPC1 (0.39) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL27127893 0.91 NPC1 (0.39) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29096933 0.82 ADORA3 (0.41) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29096934 0.82 ADORA3 (0.41) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29589448 0.80 FAAH (0.42) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL29926484 0.79 ADORA3 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL25327624 0.78 FAAH (0.43) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL27028931 0.78 ADORA3 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1

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 5 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-4308551-B1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AG (DE) 2025-04-09 EP disclosed
EP-4335462-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer AG (DE) 2024-03-13 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
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 MEN1 119/4885NPC1 96/4885RAB9A 1008/4885

“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.