SCHEMBL23083060

SCHEMBL23083060

COC(=O)C[C@@H]1Cc2ccc(O)cc2CN(CCOCCOCCOCCN=[N+]=[N-])C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 2/20 0.33
ITGB3 P05106 5/20 0.33
ITGAV P06756 5/20 0.33
ITGA2B P08514 4/20 0.33
CRBN Q96SW2 3/20 0.33
OPRK1 P41145 1/20 0.33
MGMT P16455 1/20 0.32
MMP8 P22894 3/20 0.31
MMP3 P08254 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
MIF P14174 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL23082997 0.99 OPRM1 (0.34) ESR1OPRM1OPRD1ITGB3ITGAV
SCHEMBL23083186 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BCRBNMMP8
SCHEMBL23082999 0.85 OPRM1 (0.36) OPRM1OPRD1ITGB3ITGAVITGA2B
SCHEMBL23083114 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2BCRBNMMP8
SCHEMBL23082988 0.82 ITGB3 (0.50) ITGB3ITGAVITGA2BCRBNMMP8
SCHEMBL23083070 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL23083062 0.80 ITGB3 (0.45) ITGB3ITGAVITGA2BCRBNMMP8
SCHEMBL12922965 0.79 MMP8 (0.38) ESR1OPRM1OPRD1ITGB3ITGAV
SCHEMBL12922971 0.79 MMP8 (0.38) ESR1OPRM1OPRD1ITGB3ITGAV
SCHEMBL23082986 0.79 ITGB3 (0.44) ITGB3ITGAVITGA2BCRBNMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-03-11 US 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 (1 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-20210069337-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 ESR1 3093/4885OPRM1 2105/4885OPRD1 1235/4885

“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.