SCHEMBL20280652

SCHEMBL20280652

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)CN(CC(O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(COCCOCCO)COCCOCCO)CCN(CC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A9 P48067 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
SCHEMBL21618567 0.95 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL21618568 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280975 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280876 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280994 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20281069 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280886 0.83 TSHR (0.47) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL20280995 0.82 HSD17B10 (0.37) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL21618561 0.82 HSD17B10 (0.37) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL18975548 0.82 HSD17B10 (0.37) ALDH1A1KDM4EUSP2ALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793533-B2 Dimeric contrast agents BRACCO IMAGING S.P.A. (IT) 2020-10-06 US disclosed
US-20200017453-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2020-01-16 US disclosed
WO-2018108780-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2018-06-21 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 (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-10793533-B2 Dimeric contrast agents CALCOCO2, SLC39A14, NOD2 ALDH1A1 4705/4885KDM4E 4112/4885USP2 1639/4885
US-20200017453-A1 DIMERIC CONTRAST AGENTS CALCOCO2, SLC39A14, NOD2 ALDH1A1 4705/4885KDM4E 4112/4885USP2 1639/4885

“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.