SCHEMBL133401

SCHEMBL133401

C=CC(C)(C)Oc1ccc2c(=O)c3ccccc3oc2c1OC(C)(C)C=C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.57
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
PTGS2 P35354 1/20 0.43
SRD5A1 P18405 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3326971 0.84 MAOA (0.47) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL133421 0.78 MAOA (0.57) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4336089 0.75 CYP3A4 (0.53) MAOAKDM4EALDH1A1CYP3A4MAPT
SCHEMBL132462 0.73 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL30668674 0.73 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL3328856 0.72 MAOA (0.56) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL7068663 0.67 CA12 (0.52) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL22171903 0.66 MAOA (0.58) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL789119 0.66 MAOA (1.00) MAOAKDM4ENPC1ALDH1A1RAB9A
SCHEMBL14443986 0.65 MAOA (0.71) MAOAKDM4ENPC1ALDH1A1RAB9A

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 20 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 claimed
WO-2008057604-A9 SMALL MOLECULE THERAPEUTICS, SYNTHESES OF ANALOGUES AND DERIVATIVES AND METHODS OF USE UNIV CALIFORNIA (US) 2008-10-02 WO claimed
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 claimed
US-8501803-B2 Garcinia derivative, its preparing method and medicinal use CHINA PHARMACEUTICAL UNIVERSITY (CN) 2013-08-06 US disclosed
US-8501803-B2 Garcinia derivative, its preparing method and medicinal use CHINA PHARMACEUTICAL UNIVERSITY (CN) 2013-08-06 US disclosed
EP-2494971-A1 GAMBOGIC ACID DERIVATIVES, PREPARATIVE METHODS AND USES THEREOF China Pharmaceutical University (CN) 2012-09-05 EP disclosed
US-20120059050-A1 GARCINIA DERIVATIVE, ITS PREPARING METHOD AND MEDICINAL USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2012-03-08 US disclosed
US-20120059050-A1 GARCINIA DERIVATIVE, ITS PREPARING METHOD AND MEDICINAL USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2012-03-08 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-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 (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-20100137421-A1 SMALL MOLECULE THERAPEUTICS, SYNTHESIS OF ANALOGUES AND DERIVATIVES AND METHODS OF USE BAD, CASP3, BID MAOA 3590/4885KDM4E 2993/4885NPC1 844/4885
US-20120059050-A1 GARCINIA DERIVATIVE, ITS PREPARING METHOD AND MEDICINAL USE GLG1, GDI1, GYPA MAOA 2460/4885KDM4E 834/4885NPC1 1305/4885
US-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays HEATR6, HEATR1, AIP MAOA 4083/4885KDM4E 4490/4885NPC1 1936/4885

“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.