SCHEMBL20280994

SCHEMBL20280994

COCCOCCOCC(COCCOCCOC)N(CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL20281069 0.95 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618568 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280876 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20281066 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280652 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618567 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL21618562 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280886 0.82 TSHR (0.47) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20281075 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBUSP2ALOX15
SCHEMBL20280975 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBUSP2ALOX15

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 4112/4885POLB 3512/4885
US-20200017453-A1 DIMERIC CONTRAST AGENTS CALCOCO2, SLC39A14, NOD2 ALDH1A1 4705/4885KDM4E 4112/4885POLB 3512/4885

“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.