SCHEMBL3950600

SCHEMBL3950600

COc1ccc(C=C(Br)Br)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS1 P23219 3/20 0.44
PTGS2 P35354 2/20 0.44
NQO2 P16083 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 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
SCHEMBL3941687 0.94 GAA (0.47) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL1824258 0.86 GAA (0.61) GAATDP1PTGS1PTGS2NQO2
SCHEMBL31619152 0.78 TRPA1 (0.56) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL660365 0.78 ALDH1A1 (0.72) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL31009671 0.78 ALDH1A1 (0.72) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL1822805 0.77 AMY1A (0.55) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL3757705 0.76 ALDH1A1 (0.62) NQO2ALDH1A1CYP1A2APPMAPT
SCHEMBL6331866 0.75 TDP1 (0.49) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL6331864 0.75 TDP1 (0.49) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL13766033 0.75 KDM4E (0.53) PDE4BGAATDP1PTGS1ALDH1A1

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 15 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
EP-1363880-A4 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS UNIV AUSTRALIAN (AU) 2008-10-08 EP 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-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-06-16 US disclosed
EP-1363880-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2003-11-26 EP 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
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 WO 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 (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-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 PDE4B 4644/4885PDE4A 4565/4885PDE4C 4277/4885
US-20050130221-A1 Synthesis for the preparation of compounds for screening as potential tubulin binding agents TUBB, TUBB3, TUBB1 PDE4B 2774/4885PDE4A 2976/4885PDE4C 2790/4885
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 PDE4B 4628/4885PDE4A 4558/4885PDE4C 4308/4885

“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.