SCHEMBL3328856

SCHEMBL3328856

C=CCOc1ccc2c(=O)c3ccccc3oc2c1OCC=C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CYP3A4 P08684 2/20 0.53
CYP2A6 P11509 1/20 0.53
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 1/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7068663 0.83 CA12 (0.52) MAOACA12CA1CA9CYP3A4
SCHEMBL7070719 0.77 CA12 (0.46) MAOACA12CA1CA9CYP3A4
SCHEMBL30668699 0.77 KDM4E (0.61) MAOAKDM4EALDH1A1NPC1LMNA
Xanthone SCHEMBL5694514 0.74 MAOA (0.62) MAOACA12CA1CA9CYP3A4
SCHEMBL7128865 0.74 CA12 (0.50) MAOACA12CA1CA9CYP3A4
SCHEMBL133401 0.72 MAOA (0.57) MAOACYP3A4KDM4EALDH1A1NPC1
SCHEMBL30668674 0.72 MAOA (1.00) MAOACYP3A4KDM4EALDH1A1NPC1
SCHEMBL29393962 0.72 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL8515316 0.72 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL132462 0.72 MAOA (1.00) MAOACYP3A4KDM4EALDH1A1NPC1

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-20100137421-A1 SMALL MOLECULE THERAPEUTICS, SYNTHESIS OF ANALOGUES AND DERIVATIVES AND METHODS OF USE REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-06-03 US disclosed
US-20100137421-A1 SMALL MOLECULE THERAPEUTICS, SYNTHESIS OF ANALOGUES AND DERIVATIVES AND METHODS OF USE REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-06-03 US disclosed
US-7592143-B2 Methods of treating diseases responsive to induction of apoptosis and screening assays CYTOVIA, INC. (US) 2009-09-22 US disclosed
WO-2008057604-A9 SMALL MOLECULE THERAPEUTICS, SYNTHESES OF ANALOGUES AND DERIVATIVES AND METHODS OF USE UNIV CALIFORNIA (US) 2008-10-02 WO disclosed
WO-2008057604-A9 SMALL MOLECULE THERAPEUTICS, SYNTHESES OF ANALOGUES AND DERIVATIVES AND METHODS OF USE UNIV CALIFORNIA (US) 2008-10-02 WO disclosed
WO-2008057604-A2 SMALL MOLECULE THERAPEUTICS, SYNTHESES OF ANALOGUES AND DERIVATIVES AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-15 WO disclosed
WO-2008057604-A2 SMALL MOLECULE THERAPEUTICS, SYNTHESES OF ANALOGUES AND DERIVATIVES AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-15 WO disclosed
EP-1620564-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2008-03-12 EP disclosed
EP-1620564-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-02-01 EP disclosed
US-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094647-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. (US) 2004-11-04 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-20100137421-A1 SMALL MOLECULE THERAPEUTICS, SYNTHESIS OF ANALOGUES AND DERIVATIVES AND METHODS OF USE BAD, CASP3, BID MAOA 3590/4885CA12 2416/4885CA1 2498/4885
US-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays HEATR6, HEATR1, AIP MAOA 4083/4885CA12 3020/4885CA1 2474/4885

“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.