SCHEMBL14930663

SCHEMBL14930663

COc1cc2c(cc1OC)C1=NC=C[N+]1(C)C(c1cc(OC)c(OC)c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c1)=C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.39
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ BMPR1A P36894 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVRL1 P37023 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL14926994 0.89 FYN (0.36) FYNKDM4EALDH1A1HPGDIKBKB
SCHEMBL14927047 0.72 FYN (0.38) FYNKDM4EALDH1A1HPGDEGFR
SCHEMBL16510635 0.71 FYN (0.32) FYN
SCHEMBL12070670 0.67 PTAFR (0.58) FYN
SCHEMBL14930719 0.66 FYN (0.40) FYNKDM4EALDH1A1BMPR1ATGFBR1
SCHEMBL12075016 0.64 PDGFRB (0.73) FYNALDH1A1
Methoxy Aucuparin SCHEMBL8420787 0.63 KDM4E (0.62) FYNKDM4EALDH1A1HPGDACHE
SCHEMBL14906859 0.63 PTAFR (0.45) FYNTGFBR1ACVR1
SCHEMBL28338665 0.62 HPGD (0.61) FYNKDM4EALDH1A1HPGDACHE
SCHEMBL12072009 0.62 CTDSP1 (0.46) FYNKDM4EALDH1A1HPGDACHE

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-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
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — 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 (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 3983/4885KDM4E 2572/4885ALDH1A1 3341/4885

“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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