SCHEMBL129769

SCHEMBL129769

COc1cc(-c2cc3cc(CO)c(CO)cc3c(C)n2)cc(OS(=O)(=O)C(F)(F)F)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.41
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 7/20 0.41
PDE3B Q13370 7/20 0.41
PDE3A Q14432 7/20 0.41
PDE1A P54750 5/20 0.41
PDE1B Q01064 5/20 0.41
PDE1C Q14123 5/20 0.41
RAC1 P63000 3/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL195059 0.87 KDM4E (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL127791 0.80 RAC1 (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9984940 0.79 GAA (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL128707 0.78 SDHB (0.39) RAC1KDM4EMAPTALDH1A1GAA
SCHEMBL128807 0.78 RAC1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL129941 0.78 RAC1 (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14903996 0.77 PDGFRB (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14927115 0.76 KMT2A (0.35) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL129818 0.76 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9984943 0.74 TDO2 (0.36) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (3 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
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE5A 2509/4885PDE4A 1469/4885PDE4B 1251/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE5A 2633/4885PDE4A 1919/4885PDE4B 1783/4885

“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.