SCHEMBL129751

SCHEMBL129751

COc1c(CO)ccc2cc(O)nc(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35

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
SCHEMBL198283 0.80 CYP3A4 (0.44) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL20661263 0.72 TUBB4A (0.36) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL148871 0.71 TUBB4A (0.48) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL31285652 0.67 MAPT (0.41) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL5610344 0.66 PDCD1 (0.39) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL4486140 0.65 MAPT (0.40) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL5963023 0.65 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPOLB
SCHEMBL127776 0.65 MEN1 (0.41) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL14904070 0.63 RAB9A (0.35) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL26287908 0.63 CYP1A2 (0.42) KDM4EALDH1A1MEN1KMT2AGAA

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 3341/4885PDE4A 2153/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 2001/4885ALDH1A1 2930/4885PDE4A 1469/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L KDM4E 1992/4885ALDH1A1 3376/4885PDE4A 1919/4885

“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.