SCHEMBL22403091

SCHEMBL22403091

CN(CC(=O)O)C(=O)CN1CCN(CC(=O)O)CCN(CC(O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
SLC6A9 P48067 1/20 0.33
DRD4 P21917 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRK1 P41145 1/20 0.32
CCKBR P32239 1/20 0.31
MVD P53602 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
PIK3CD O00329 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
SCHEMBL20187636 0.89 HSD17B10 (0.42) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL14536510 0.82 HSD17B10 (0.48) ALDH1A1MEN1KMT2AHSD17B10SLC6A9
SCHEMBL25756824 0.82 HSD17B10 (0.48) ALDH1A1MEN1KMT2AHSD17B10SLC6A9
SCHEMBL24863381 0.82 HSD17B10 (0.48) ALDH1A1MEN1KMT2AHSD17B10SLC6A9
SCHEMBL22403182 0.78
SCHEMBL24090577 0.77 HSD17B10 (0.41) ALDH1A1HSD17B10SLC6A9PIK3CD
SCHEMBL21964966 0.77 HSD17B10 (0.44) ALDH1A1MEN1KMT2AHSD17B10SIGMAR1
SCHEMBL7127624 0.77 SIGMAR1 (0.45) ALDH1A1MEN1POLBKMT2AHSD17B10
SCHEMBL27390305 0.77 HSD17B10 (0.44) ALDH1A1MEN1KMT2AHSD17B10SIGMAR1
SCHEMBL20187501 0.76 ALDH1A1 (0.38) ALDH1A1MEN1POLBKMT2AHSD17B10

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 4666/4885MEN1 89/4885POLB 4587/4885
US-10975060-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.