SCHEMBL179698

SCHEMBL179698

COc1cc2cc3c4cc(C5CCCCC5)c(OC)cc4cc[n+]3c(C)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
CYP3A4 P08684 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HPGD P15428 2/20 0.69
CASP1 P29466 2/20 0.69
CASP7 P55210 2/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPT P10636 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPK1 P28482 1/20 0.69
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
HTR2A P28223 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL127934 0.89 KDM4E (0.54) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL278878 0.84 KDM4E (0.97) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL16186785 0.83 CYP3A4 (0.57) KDM4ECYP3A4ALDH1A1HPGDCASP1
Hydrochloric Acid SCHEMBL3320097 0.83 KDM4E (1.00) KDM4ECYP3A4ALDH1A1HPGDCASP1
Water SCHEMBL4022544 0.81 KDM4E (1.00) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL179693 0.80 KDM4E (0.58) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL12942447 0.77 KDM4E (0.82) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL17539940 0.76 ALDH1A1 (0.76) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL12903638 0.74 KDM4E (0.76) KDM4ECYP3A4ALDH1A1HPGDCASP1
SCHEMBL29331926 0.74 ALDH1A1 (0.76) KDM4ECYP3A4ALDH1A1HPGDCASP1

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 464/4885ALDH1A1 2930/4885

“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.