SCHEMBL20515136

SCHEMBL20515136

O=C(O)[C@H](Cc1ccc(O)c(O)c1)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ITGA4 P13612 6/20 0.50
ITGB7 P26010 6/20 0.50
KDM4A O75164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
SNCA P37840 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ALB P02768 1/20 0.43
IL2 P60568 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL20515138 1.00 ALDH1A1 (0.51) ALDH1A1ITGA4ITGB7KDM4AKDM4E
SCHEMBL3970236 0.87 ALDH1A1 (0.57) ALDH1A1ITGA4ITGB7KDM4AKDM4E
SCHEMBL3970237 0.87 ALDH1A1 (0.57) ALDH1A1ITGA4ITGB7KDM4AKDM4E
SCHEMBL14921097 0.87 ALDH1A1 (0.66) ALDH1A1ITGA4ITGB7KDM4AKDM4E
SCHEMBL29531612 0.80 KDM6B (0.54) ALDH1A1KDM4ECA1CA2
Bromide SCHEMBL11422015 0.80 ITGA4 (0.50) ITGA4ITGB7KDM4EKMT2ACA1
Bromide SCHEMBL11422000 0.80 ITGA4 (0.50) ITGA4ITGB7KDM4EKMT2ACA1
SCHEMBL7518908 0.79 ITGA4 (0.54) ALDH1A1ITGA4ITGB7KDM4APDCD1
SCHEMBL7518902 0.79 ITGA4 (0.54) ALDH1A1ITGA4ITGB7KDM4APDCD1
SCHEMBL750949 0.79 ALDH1A1 (0.54) ALDH1A1KDM4AKDM4EKMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461867-B Modified mussel proteins, uses thereof and related compounds 柏林工业大学 2024-05-17 CN claimed
US-11345910-B2 Modified mussel proteins, uses thereof and related compounds Technische Universität Berlin (DE) 2022-05-31 US claimed
EP-3601323-B1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS UNIV BERLIN TECH (DE) 2022-05-04 EP claimed
US-20210087237-A1 Modified Mussel Proteins, Uses Thereof and Related Compounds Technische Universität Berlin (DE) 2021-03-25 US claimed
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 EP claimed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 WO claimed
EP-3381932-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-03 EP claimed
CN-110461867-B Modified mussel proteins, uses thereof and related compounds 柏林工业大学 2024-05-17 CN disclosed
CN-110461867-B Modified mussel proteins, uses thereof and related compounds 柏林工业大学 2024-05-17 CN disclosed
US-11345910-B2 Modified mussel proteins, uses thereof and related compounds Technische Universität Berlin (DE) 2022-05-31 US disclosed
EP-3601323-B1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS UNIV BERLIN TECH (DE) 2022-05-04 EP disclosed
US-20210087237-A1 Modified Mussel Proteins, Uses Thereof and Related Compounds Technische Universität Berlin (DE) 2021-03-25 US disclosed
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 EP disclosed
EP-3601323-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2020-02-05 EP disclosed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 WO disclosed
WO-2018178013-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-04 WO disclosed
EP-3381932-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-03 EP disclosed
EP-3381932-A1 MODIFIED MUSSEL PROTEINS, USES THEREOF AND RELATED COMPOUNDS Technische Universität Berlin (DE) 2018-10-03 EP 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-20210087237-A1 Modified Mussel Proteins, Uses Thereof and Related Compounds PTMS, TYR, DDT ALDH1A1 404/4885ITGA4 879/4885ITGB7 1394/4885
US-11345910-B2 Modified mussel proteins, uses thereof and related compounds PTMS, TYR, DDT ALDH1A1 404/4885ITGA4 879/4885ITGB7 1394/4885

“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.