SCHEMBL20280433

SCHEMBL20280433

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL20281021 1.00 HSD17B10 (0.36) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL18975548 0.99 HSD17B10 (0.37) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL18975194 0.97 HSD17B10 (0.35) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL18970210 0.96 HSD17B10 (0.37) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL20280995 0.96 HSD17B10 (0.37) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL21618561 0.96 HSD17B10 (0.37) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL21334345 0.95 HSD17B10 (0.35) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL20280869 0.94 KDM4E (0.34) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL20280987 0.94 KDM4E (0.34) HSD17B10BLMPMP22ALDH1A1KDM4E
SCHEMBL20280991 0.92 HSD17B10 (0.33) HSD17B10BLMPMP22

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 HSD17B10 4707/4885BLM 2414/4885PMP22 342/4885
US-20200017453-A1 DIMERIC CONTRAST AGENTS CALCOCO2, SLC39A14, NOD2 HSD17B10 4707/4885BLM 2414/4885PMP22 342/4885

“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.