SCHEMBL14926994

SCHEMBL14926994

COc1cc(C2=Cc3cc(CO)c(CO)cc3C3=NC=C[N+]23C)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.36
▸ IKBKB O14920 1/20 0.32
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL14930663 0.89 FYN (0.39) FYNIKBKBKDM4EALDH1A1HPGD
SCHEMBL14926993 0.71 PTAFR (0.51) —
SCHEMBL14903983 0.68 PDGFRB (0.54) FYN
SCHEMBL14927047 0.68 FYN (0.38) FYNIKBKBHTTKDM4EALDH1A1
SCHEMBL14903973 0.67 PTAFR (0.40) FYNHTTALDH1A1
SCHEMBL14903984 0.66 FYN (0.38) FYNIKBKBPDCD1CD274HTT
SCHEMBL14904054 0.65 PDGFRB (0.55) FYN
SCHEMBL14903972 0.64 PTAFR (0.40) FYNIKBKBKDM4EALDH1A1HPGD
SCHEMBL14904012 0.64 FYN (0.43) FYNPDCD1CD274
SCHEMBL14904334 0.63 FYN (0.34) FYNIKBKBPDCD1CD274HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 FYN 3983/4885IKBKB 3606/4885PDCD1 4176/4885

“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.

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