SCHEMBL197485

SCHEMBL197485

COc1cc2cc3c4cc(-c5ccc(-c6ccccc6)cc5)c(OC)c(OC)c4cc[n+]3c(C)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
CYP3A4 P08684 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
MAPK1 P28482 2/20 0.56
ACACA Q13085 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35
RAC1 P63000 3/20 0.35
CDC42 P60953 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL128921 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL14930718 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL128952 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL16383324 0.86 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL179694 0.83 CYP3A4 (0.74) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL16383304 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL14926967 0.79 HPGD (0.37) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL16383305 0.79 CYP3A4 (0.49) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL7823305 0.78 MAPT (0.68) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL14930684 0.76 CYP3A4 (0.49) KDM4EALDH1A1HPGDCYP3A4MAPT

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-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885ALDH1A1 2930/4885HPGD 4046/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885ALDH1A1 3376/4885HPGD 4224/4885

“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.