SCHEMBL20187593

SCHEMBL20187593

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MDM2 Q00987 1/20 0.34
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 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
SCHEMBL20200027 0.89 HSD17B10 (0.39) BLMPMP22HSD17B10SIGMAR1KDM4E
SCHEMBL22069385 0.88 SIGMAR1 (0.33) HSD17B10SIGMAR1KDM4EMDM2ALDH1A1
SCHEMBL20200037 0.84 BLM (0.35) BLMPMP22HSD17B10SIGMAR1KDM4E
SCHEMBL22069502 0.82 KDM4E (0.31) SIGMAR1KDM4ENAMPTALDH1A1KMT2A
SCHEMBL20187511 0.77 CA1 (0.33) SIGMAR1KDM4EMDM2ALDH1A1
SCHEMBL20199969 0.76 SIGMAR1 (0.35) BLMPMP22HSD17B10SIGMAR1KDM4E
SCHEMBL20200038 0.75 KDM4E (0.39) HSD17B10SIGMAR1KDM4EMDM2ALDH1A1
SCHEMBL22069374 0.74 KDM4E (0.34) SIGMAR1KDM4EMDM2ALDH1A1TDP1
SCHEMBL20187501 0.74 ALDH1A1 (0.38) HSD17B10SIGMAR1KDM4EMDM2ALDH1A1
SCHEMBL20199971 0.73 ALDH1A1 (0.35) HSD17B10SIGMAR1KDM4EMDM2ALDH1A1

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-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US claimed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US claimed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US disclosed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US disclosed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
EP-3544964-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma Aktiengesellschaft (DE) 2019-10-02 EP disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 WO 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 (4 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-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 BLM 1480/4885PMP22 185/4885HSD17B10 4767/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 BLM 1480/4885PMP22 185/4885HSD17B10 4767/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 BLM 1480/4885PMP22 185/4885HSD17B10 4767/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 BLM 1480/4885PMP22 185/4885HSD17B10 4767/4885

“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.