SCHEMBL3941687

SCHEMBL3941687

COc1cc(C=C(Br)Br)ccc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NQO2 P16083 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP1A1 P04798 1/20 0.42

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
SCHEMBL3950600 0.94 PDE4B (0.49) GAATDP1MAPTKDM4EHTT
SCHEMBL1824258 0.86 GAA (0.61) GAATDP1KDM4EPTGS1PTGS2
SCHEMBL16960211 0.81 ALDH1A1 (0.47) GAATDP1MAPTKDM4EPTGS1
SCHEMBL6331864 0.81 TDP1 (0.49) GAATDP1MAPTKDM4EHTT
SCHEMBL6331866 0.81 TDP1 (0.49) GAATDP1MAPTKDM4EHTT
SCHEMBL16956007 0.78 TRPA1 (0.56) GAAMAPTPTGS1PTGS2MEN1
SCHEMBL1159006 0.78 ALDH1A1 (0.72) TDP1MAPTKDM4EHTTMEN1
SCHEMBL3757705 0.76 ALDH1A1 (0.62) MAPTNQO2ALDH1A1CYP1A2APP
SCHEMBL6587536 0.75 MMP9 (0.58) KDM4EPTGS1PTGS2ALDH1A1HDAC1
SCHEMBL6587547 0.75 MMP9 (0.58) KDM4EPTGS1PTGS2ALDH1A1HDAC1

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 GAA 3208/4885TDP1 2296/4885MAPT 2791/4885
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 GAA 2786/4885TDP1 2440/4885MAPT 2429/4885

“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.