SCHEMBL18970111

SCHEMBL18970111

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL18970104 0.94 HSD17B10 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL18970114 0.93 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL22730606 0.93 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL18970127 0.93 TDP1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL22730603 0.92 KDM4E (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL18970241 0.91 SLC6A9 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL22730594 0.87 SLC6A9 (0.34) TDP1KDM4EALOX15SLC6A9HSD17B10
SCHEMBL18970106 0.87 SLC6A9 (0.34) TDP1KDM4EALOX15SLC6A9HSD17B10
SCHEMBL18975211 0.85 BACE1 (0.48) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL18975189 0.81 ALDH1A1 (0.44) KDM4ELMNAADRA2ATSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024500-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2021-01-28 US disclosed
US-10882849-B2 Dimeric contrast agents BRACCO IMAGING S.P.A. (IT) 2021-01-05 US disclosed
US-20200331893-A9 DIMERIC CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2020-10-22 US disclosed
US-20190345142-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2019-11-14 US disclosed
US-10407412-B2 Dimeric contrast agents BRACCO IMAGING S.P.A. (IT) 2019-09-10 US disclosed
WO-2017098044-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 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 (5 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-20200331893-A9 DIMERIC CONTRAST AGENTS CALCOCO2, NOD2, SLC39A14 TDP1 4213/4885EYA2 4303/4885APP 4395/4885
US-10882849-B2 Dimeric contrast agents CALCOCO2, NOD2, SLC39A14 TDP1 4213/4885EYA2 4303/4885APP 4395/4885
US-20210024500-A1 DIMERIC CONTRAST AGENTS CALCOCO2, NOD2, SLC39A14 TDP1 4213/4885EYA2 4303/4885APP 4395/4885
US-20190345142-A1 DIMERIC CONTRAST AGENTS CALCOCO2, NOD2, SLC39A14 TDP1 4213/4885EYA2 4303/4885APP 4395/4885
US-10407412-B2 Dimeric contrast agents CALCOCO2, NOD2, SLC39A14 TDP1 4213/4885EYA2 4303/4885APP 4395/4885

“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.