SCHEMBL3941671

SCHEMBL3941671

COc1cc(C#Cc2cc(OC)c(OC(C)C)cc2C=O)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 5/20 0.39
PRKDC P78527 2/20 0.39
ACACB O00763 2/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4B Q07343 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34

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
SCHEMBL3946740 0.97 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5747442 0.91 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5225656 0.87 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL6205811 0.87 ACACB (0.36) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL5746990 0.87 ALDH1A1 (0.37) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL3952203 0.80 ACACB (0.40) ALDH1A1ACACBMAPTGAAHPGD
SCHEMBL5746874 0.79 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL15895661 0.77 ALDH1A1 (0.49) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL3941664 0.77 ACACB (0.42) ACACBALOX15PDE4BKMT2ACYP1A2
SCHEMBL17765451 0.75 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ETDP1ERN1

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 ALDH1A1 3949/4885TSHR 3474/4885KDM4E 1774/4885
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 ALDH1A1 4051/4885TSHR 3453/4885KDM4E 1483/4885

“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.