SCHEMBL128807

SCHEMBL128807

COc1cc(-c2cc3cc(CO)c(CO)cc3c(C)n2)cc(-c2ccccc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 4/20 0.46
ACACA Q13085 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PDE5A O76074 2/20 0.42
PDE4A P27815 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE3A Q14432 2/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL14930629 0.87 RAC1 (0.60) RAC1ACACAKDM4EMEN1KMT2A
SCHEMBL129941 0.86 RAC1 (0.43) RAC1KDM4EMEN1KMT2ARAB9A
SCHEMBL127791 0.84 RAC1 (0.52) RAC1KDM4EMEN1KMT2ARAB9A
SCHEMBL127673 0.81 RAC1 (0.40) RAC1KDM4EMEN1KMT2ARAB9A
SCHEMBL129769 0.78 PDE5A (0.41) RAC1KDM4EMEN1KMT2ARAB9A
SCHEMBL128848 0.77 RAC1 (0.42) RAC1KDM4EMEN1KMT2ARAB9A
SCHEMBL128040 0.76 RAC1 (0.44) RAC1ACACAKDM4EMEN1KMT2A
SCHEMBL14904054 0.72 PDGFRB (0.55)
SCHEMBL3320127 0.72 KDM4E (0.75) RAC1ACACAKDM4EMEN1KMT2A
SCHEMBL14903983 0.72 PDGFRB (0.54)

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 356/4885ACACA 4805/4885KDM4E 2572/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 331/4885ACACA 4571/4885KDM4E 2001/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAC1 254/4885ACACA 4667/4885KDM4E 1992/4885

“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.