SCHEMBL179693

SCHEMBL179693

COc1cc2cc3c4cc(C5CC5)c(OC)c(OC)c4cc[n+]3c(C)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
CYP3A4 P08684 3/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 1/20 0.58
RAC1 P63000 3/20 0.39
CDC42 P60953 1/20 0.39
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NTSR1 P30989 1/20 0.31
ADRA1A P35348 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE1A P54750 1/20 0.31

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
SCHEMBL127936 0.86 KDM4E (0.41) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL179698 0.80 KDM4E (0.69) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL7823305 0.79 MAPT (0.68) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL16186785 0.76 CYP3A4 (0.57) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL278878 0.76 KDM4E (0.97) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL197485 0.76 KDM4E (0.56) KDM4ECYP3A4MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3320097 0.75 KDM4E (1.00) KDM4ECYP3A4MAPTALDH1A1HPGD
Water SCHEMBL4022544 0.73 KDM4E (1.00) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL14930718 0.72 KDM4E (0.52) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL127934 0.72 KDM4E (0.54) KDM4ECYP3A4MAPTALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2001/4885CYP3A4 464/4885MAPT 4740/4885

“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.