SCHEMBL194817

SCHEMBL194817

CCCCOc1cc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.51
RAC1 P63000 4/20 0.49
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
POLB P06746 1/20 0.43
TLR8 Q9NR97 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
PDE1A P54750 2/20 0.40
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL12071572 0.85 TLR8 (0.43) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL195376 0.78 RAC1 (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL14930629 0.74 RAC1 (0.60) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL12070547 0.74 NPC1 (0.55) KDM4EGAANPC1RAB9AMAPT
SCHEMBL195059 0.73 KDM4E (0.49) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7822956 0.73 KDM4E (0.83) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL12074224 0.72 PDGFRB (0.60)
SCHEMBL7923577 0.72 ACHE (0.63) NPC1MAPTPDE3BPDE3A
SCHEMBL3324961 0.72 KDM4E (1.00) KDM4EALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3319256 0.71 KDM4E (0.97) KDM4EALDH1A1GAAMEN1KMT2A

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 3341/4885GAA 2760/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885ALDH1A1 2930/4885GAA 1316/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885ALDH1A1 3376/4885GAA 1373/4885

“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.