SCHEMBL127791

SCHEMBL127791

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.52
PDE4A P27815 10/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 10/20 0.45
PDE4D Q08499 10/20 0.45
PDE3B Q13370 10/20 0.45
PDE3A Q14432 10/20 0.45
PDE5A O76074 9/20 0.45
PDE1A P54750 8/20 0.45
PDE1B Q01064 8/20 0.45
PDE1C Q14123 8/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL195376 0.86 RAC1 (0.69) RAC1PDE4APDE4BPDE4CPDE4D
SCHEMBL128807 0.84 RAC1 (0.46) RAC1PDE4APDE4BPDE4CPDE4D
SCHEMBL129941 0.81 RAC1 (0.43) RAC1PDE4APDE4BPDE4CPDE4D
SCHEMBL129769 0.80 PDE5A (0.41) RAC1PDE4APDE4BPDE4CPDE4D
SCHEMBL9985556 0.76 RAC1 (0.48) RAC1MEN1KMT2AGAAPOLB
SCHEMBL14927116 0.72 RAC1 (0.42) RAC1GAAKDM4EMAPTALDH1A1
SCHEMBL14904055 0.72 PDGFRB (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL127673 0.71 RAC1 (0.40) RAC1MEN1KMT2AGAAPOLB
SCHEMBL9985559 0.70 TDO2 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14930629 0.69 RAC1 (0.60) RAC1MEN1KMT2AGAAPOLB

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 RAC1 356/4885PDE4A 2153/4885PDE4B 2021/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 331/4885PDE4A 1469/4885PDE4B 1251/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 254/4885PDE4A 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.