SCHEMBL5457380

SCHEMBL5457380

CCC(C)(C)c1ccc(OC)c2c(=O)c3cccc(OC)c3oc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.38
ESR1 P03372 1/20 0.38
KDM5A P29375 1/20 0.38
ESR2 Q92731 1/20 0.38
TOP2A P11388 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.37

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
SCHEMBL5279447 0.76 MAOA (0.48) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL7236286 0.71 MAOA (0.68) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL20346660 0.69 MAOA (0.62) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL10127076 0.68 MAOA (0.59) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL30346412 0.67 MAOA (0.79) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL14443979 0.67 NUDT1 (0.53) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL14443973 0.67 IKBKB (0.58) MAOAKDM4ECYP3A4
SCHEMBL18240048 0.67 MAOA (0.67) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL20346583 0.66 MAOA (0.67) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL27714097 0.66 MAOA (0.70) MAOAALDH1A1KDM4ELMNANPC1

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 894/4885ALDH1A1 2211/4885KDM4E 3811/4885
US-20060084698-A1 Methods for preparation and use of psorospermin analogs DHPS, DHFR, DHODH MAOA 778/4885ALDH1A1 2358/4885KDM4E 4062/4885

“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.