SCHEMBL128952

SCHEMBL128952

COc1c(-c2ccc(-c3ccccc3)cc2)cc2c(cc[n+]3c(C)c4cc(CO)c(CO)cc4cc23)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
PDE4B Q07343 6/20 0.33
PDE4A P27815 5/20 0.33
PDE4C Q08493 5/20 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
SCHEMBL14926967 0.91 HPGD (0.37) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL128921 0.88 KDM4E (0.43) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL14926968 0.88 KDM4E (0.37) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL197485 0.87 KDM4E (0.56) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL14926971 0.84 HPGD (0.36) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL128843 0.82 HPGD (0.58) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL14926970 0.81 KDM4E (0.36) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL127936 0.78 KDM4E (0.41) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL14930718 0.78 KDM4E (0.52) KDM4EALDH1A1CYP3A4HPGDCASP1
SCHEMBL14903992 0.76 ACHE (0.36) KDM4EALDH1A1MGAMGAASI

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 KDM4E 2572/4885ALDH1A1 3341/4885CYP3A4 2285/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885ALDH1A1 2930/4885CYP3A4 464/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885ALDH1A1 3376/4885CYP3A4 629/4885

“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.