SCHEMBL129765

SCHEMBL129765

COc1c(-c2ccc(-c3ccccc3)cc2)cc2c(c1OC)CCN=C2Cc1ccc(CO)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
GLA P06280 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
PTAFR P25105 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
MAPK10 P53779 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32

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
SCHEMBL193999 0.86 RAD52 (0.53) RAD52KDM4EALDH1A1LMNAGLA
SCHEMBL129991 0.84 RAD52 (0.40) RAD52KDM4EALDH1A1LMNAMGAM
SCHEMBL192575 0.81 RAD52 (0.43) RAD52KDM4EALDH1A1LMNAGLA
SCHEMBL128801 0.72 PDE10A (0.37) KDM4EALDH1A1LMNAMGAMGAA
SCHEMBL13076608 0.70 IDH1 (0.40) RAD52KDM4EALDH1A1LMNAGAA
SCHEMBL14903927 0.69 KDM4E (0.38) KDM4EMGAMGAASIMGAM2
SCHEMBL11445961 0.69 RAD52 (0.61) RAD52KDM4EALDH1A1LMNAGAA
SCHEMBL11921688 0.67 KDM4E (0.48) RAD52KDM4EALDH1A1LMNAGLA
SCHEMBL14903991 0.66 PDE4A (0.32) KDM4EALDH1A1MGAMGAASI
SCHEMBL11445637 0.66 RAD52 (0.47) RAD52KDM4EALDH1A1LMNAGLA

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 RAD52 2065/4885KDM4E 2572/4885ALDH1A1 3341/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAD52 3221/4885KDM4E 2001/4885ALDH1A1 2930/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L RAD52 3115/4885KDM4E 1992/4885ALDH1A1 3376/4885

“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.