SCHEMBL5350979

SCHEMBL5350979

COc1cccc2c(=O)c3c(OC)cc(OC=CC(C)C)cc3oc12

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.74
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
TOP2A P11388 4/20 0.46
ADORA3 P0DMS8 1/20 0.41
ESR1 P03372 1/20 0.41
KDM5A P29375 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL8484364 0.85 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL5354713 0.81 MAOA (0.72) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL6285040 0.79 MAOA (0.72) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL14443986 0.78 MAOA (0.71) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL14466272 0.77 MAOA (0.74) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL14443985 0.77 MAOA (0.74) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL5346660 0.76 MAOA (0.72) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL14443982 0.76 MAOA (0.71) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL7931361 0.75 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL7335491 0.71 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1LMNA

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-7244760-B2 Methods for preparation and use of psorospermin analogs BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-07-17 US disclosed
US-20060084698-A1 Methods for preparation and use of psorospermin analogs NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-20 US disclosed
EP-1395596-A2 METHODS FOR PREPARATION AND USE OF PSOROSPERMIN ANALOGS Board of Regents, The University of Texas System (US) 2004-03-10 EP disclosed
US-20030120093-A1 Methods for preparation and use of psorospermin analogs NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
WO-2002094836-A2 METHODS FOR PREPARATION AND USE OF PSOROSPERMIN ANALOGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-11-28 WO 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-20030120093-A1 Methods for preparation and use of psorospermin analogs DHODH, DHFR, DHPS MAOA 894/4885KDM4E 3811/4885NPC1 2780/4885
US-20060084698-A1 Methods for preparation and use of psorospermin analogs DHPS, DHFR, DHODH MAOA 778/4885KDM4E 4062/4885NPC1 2512/4885

“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.