SCHEMBL14926995

SCHEMBL14926995

COc1cc(-c2cc3cc(CO)c(CO)cc3c3[n+]2CCN3C)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.35
▸ PDE4A P27815 4/20 0.35
▸ PDE4B Q07343 4/20 0.35
▸ PDE4C Q08493 4/20 0.35
▸ PDE4D Q08499 4/20 0.35
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ PDE1A P54750 4/20 0.35
▸ PDE1B Q01064 4/20 0.35
▸ PDE1C Q14123 4/20 0.35
▸ KDR P35968 7/20 0.34
▸ GSK3B P49841 5/20 0.34
▸ FLT3 P36888 4/20 0.34
▸ FYN P06241 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL16510622 0.89 CTDSP1 (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14927042 0.87 FYN (0.35) FYNIKBKBMEN1ALDH1A1KMT2A
SCHEMBL14904334 0.84 FYN (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14926992 0.71 PTAFR (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14903984 0.71 FYN (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14903983 0.70 PDGFRB (0.54) FYN
SCHEMBL128807 0.69 RAC1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14903985 0.69 MTNR1A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL14904027 0.68 PDCD1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14904013 0.67 PTPN1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D

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 PDE5A 2129/4885PDE4A 2153/4885PDE4B 2021/4885

“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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