SCHEMBL128708

SCHEMBL128708

COc1cc2cc[n+]3c(C)c4cc(C)c(C)cc4cc3c2cc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
HPGD P15428 3/20 0.63
CYP3A4 P08684 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
CASP1 P29466 2/20 0.63
CASP7 P55210 2/20 0.63
HSD17B10 Q99714 2/20 0.63
MAPK1 P28482 1/20 0.63
PGR P06401 1/20 0.36
ACACA Q13085 2/20 0.35
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 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
SCHEMBL179694 0.93 CYP3A4 (0.74) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL129005 0.91 CYP3A4 (0.63) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL128769 0.90 CYP3A4 (0.62) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL128922 0.89 CYP3A4 (0.64) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL128925 0.87 KDM4E (0.56) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL128843 0.87 HPGD (0.58) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL127753 0.86 CYP3A4 (0.55) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL128789 0.84 MAPT (0.55) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL127911 0.84 KMT2A (0.55) KDM4EHPGDCYP3A4ALDH1A1MEN1
SCHEMBL13076467 0.83 KDM4E (0.74) KDM4EHPGDCYP3A4ALDH1A1MEN1

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 3 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-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

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 2001/4885HPGD 4046/4885CYP3A4 464/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885HPGD 4224/4885CYP3A4 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.