SCHEMBL22069348

SCHEMBL22069348

CN(CC(=O)NCC(CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)(CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)CNC(=O)CN(C)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1)C(=O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3].[Gd+3].[Gd+3].[Gd+3]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20200046 0.86 ALDH1A1 (0.36) ALDH1A1MEN1POLBKMT2ASIGMAR1
SCHEMBL22069474 0.84 KMT2A (0.39) ALDH1A1MEN1POLBKMT2ASIGMAR1
SCHEMBL30741640 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL24186639 0.83 ALDH1A1 (0.34) ALDH1A1MEN1POLBKMT2A
SCHEMBL22069454 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22069453 0.81 NPSR1 (0.31) MEN1KMT2A
SCHEMBL21313109 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL30741641 0.80 ALDH1A1 (0.36) ALDH1A1SIGMAR1LMNA
SCHEMBL22403271 0.80 ALDH1A1 (0.32) ALDH1A1MEN1POLBKMT2A
SCHEMBL30741642 0.79 HSD17B10 (0.36) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US claimed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP claimed

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-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885MEN1 89/4885POLB 4587/4885

“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.