SCHEMBL3240718

SCHEMBL3240718

COc1cc2c(c(OC(C)C)c1OC)CCN=C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HTR2C P28335 2/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL3944592 0.88 MAPT (0.40) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL3240446 0.74 ACHE (0.46) GAAHTR2CALDH1A1KDM4EMAPT
SCHEMBL3240735 0.74 ACHE (0.46) GAAHTR2CALDH1A1KDM4EMAPT
SCHEMBL17144891 0.73 KDM4E (0.36) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL9573206 0.72 ALDH1A1 (0.44) HTR2CALDH1A1KDM4EMAPTKMT2A
SCHEMBL30042609 0.68 HTR2C (0.41) HTR2C
SCHEMBL30336885 0.67 DRD2 (0.39) GAAHTR2CALDH1A1KDM4E
SCHEMBL251439 0.66 MAOA (0.47) GAAALDH1A1KDM4EMAPT
SCHEMBL31268130 0.66 MAOA (0.47) GAAALDH1A1KDM4EMAPT
SCHEMBL17144907 0.66 MAOA (0.47) GAAALDH1A1KDM4EMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101941977-A The antitumoral analogue of stratiform element PHARMA MAR SAU 2011-01-12 CN disclosed
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
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-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
CN-1325476-C Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, noval compounds thereof and their use as chemotherapeutic agents UNIV AUSTRALIAN (AU) 2007-07-11 CN 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
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 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
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 WO 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
CN-1262677-A Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents UNIV AUSTRALIAN (AU) 2000-08-09 CN 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-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 GAA 3947/4885HTR2C 3229/4885ALOX5 1392/4885
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 3208/4885HTR2C 1214/4885ALOX5 524/4885
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 2786/4885HTR2C 1359/4885ALOX5 765/4885

“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.