SCHEMBL3952203

SCHEMBL3952203

COc1cc(C#Cc2cc(OC)c(OC(C)C)cc2O)ccc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
PDE4B Q07343 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 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
SCHEMBL3941664 0.97 ACACB (0.42) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL5746992 0.89 PDE4B (0.37) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL3941671 0.80 ALDH1A1 (0.41) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL3943880 0.77 ACACB (0.41) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL3946740 0.77 ALDH1A1 (0.41) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL3236478 0.75 ACACB (0.42) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL3941652 0.75 ACACB (0.44) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL524383 0.73 AR (0.55) ALDH1A1MAPTSMN1; SMN2GAAHPGD
SCHEMBL16956005 0.73 SMN1; SMN2 (0.40) ACACBACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL3662959 0.73 ALDH1A1 (0.43) ACACBPDE4BACHEALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557118-B2 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2009-07-07 US disclosed
US-7122673-B2 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2006-10-17 US disclosed
EP-1621533-A1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2006-02-01 EP disclosed
EP-0981517-B1 PREPARATION OF FUSED POLYCYCLIC ALKALOIDS BY RING CLOSURE OF AZOMETHINE YLIDES UNIV AUSTRALIAN (AU) 2005-11-16 EP disclosed
US-20050154004-A1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents AUSTRALIAN NATIONAL UNIVERSITY, THE (AU) 2005-07-14 US disclosed
US-20030208076-A1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents AUSTRALIAN NATIONAL UNIVERSITY, THE (AU) 2003-11-06 US disclosed
US-6521757-B1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-02-18 US disclosed
EP-0981517-A4 PREPARATION OF FUSED POLYCYCLIC ALKALOIDS BY RING CLOSURE OF AZOMETHINE YLIDES, NOVEL COMPOUNDS THEREOF AND THEIR USE AS CHEMOTHERAPEUTIC AGENTS UNIV AUSTRALIAN (AU) 2001-01-24 EP disclosed
EP-0981517-A1 PREPARATION OF FUSED POLYCYCLIC ALKALOIDS BY RING CLOSURE OF AZOMETHINE YLIDES, NOVEL COMPOUNDS THEREOF AND THEIR USE AS CHEMOTHERAPEUTIC AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2000-03-01 EP disclosed
WO-1998050365-A9 PREPARATION OF FUSED POLYCYCLIC ALKALOIDS BY RING CLOSURE OF AZOMETHINE YLIDES, NOVEL COMPOUNDS THEREOF AND THEIR USE AS CHEMOTHERAPEUTIC AGENTS UNIV AUSTRALIAN (AU) 2000-02-03 WO disclosed
WO-1998050365-A1 PREPARATION OF FUSED POLYCYCLIC ALKALOIDS BY RING CLOSURE OF AZOMETHINE YLIDES, NOVEL COMPOUNDS THEREOF AND THEIR USE AS CHEMOTHERAPEUTIC AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1998-11-12 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-20030208076-A1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents HCCS, CYCS, CCNO ACACB 2703/4885PDE4B 4644/4885PDE4A 4565/4885
US-20050154004-A1 Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents HCCS, CYCS, CCNO ACACB 2339/4885PDE4B 4628/4885PDE4A 4558/4885

“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.