SCHEMBL3258548

SCHEMBL3258548

COc1c(O)ccc(C(C)=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.53
HTT P42858 1/20 0.47
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL13827071 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1CYP3A4HTT
SCHEMBL23120369 0.86 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1CYP3A4HTT
SCHEMBL10408222 0.84 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1CYP3A4HTT
SCHEMBL419245 0.83 TDP1 (0.56) ALDH1A1HTTMAPTTDP1NPC1
SCHEMBL27556628 0.82 NNMT (0.44) ALDH1A1HPGDMAPK1CYP3A4MAPT
SCHEMBL20342786 0.82 CA1 (0.52) ALDH1A1HPGDMAPK1CYP3A4HTT
SCHEMBL30069060 0.79 ALDH1A1 (0.59) ALDH1A1HTTMAPTGAATDP1
SCHEMBL1421887 0.79 ALDH1A1 (0.59) ALDH1A1HTTMAPTGAATDP1
SCHEMBL29403778 0.79 TDP1 (0.52) ALDH1A1HPGDMAPK1CYP3A4MAPT
SCHEMBL69925 0.79 TDP1 (0.52) ALDH1A1HPGDMAPK1CYP3A4MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324177-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-12-04 US disclosed
US-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2011-12-01 US disclosed
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF ARNTZEN CHARLES J 2010-07-29 US disclosed
US-7670632-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-03-02 US disclosed
EP-1079824-A4 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RES DEV FOUNDATION (US) 2008-03-12 EP disclosed
EP-1355642-A4 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2007-04-04 EP disclosed
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions RESEARCH DEVELOPMENT FOUNDATION 2006-07-06 US disclosed
US-20060073222-A1 Triterpene compositions and methods for use thereof ARNTZEN CHARLES J 2006-04-06 US disclosed
US-6962720-B2 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2005-11-08 US disclosed
US-6746696-B2 ANTITUMOR AGENTS; APOPTOSIS RESEARCH DEVELOPMENT FOUNDATION 2004-06-08 US disclosed
EP-1355642-A2 INHIBITION OF NF-(k)B BY TRITERPENE COMPOSITIONS RESEARCH DEVELOPMENT FOUNDATION (US) 2003-10-29 EP disclosed
US-20030039705-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION 2003-02-27 US disclosed
US-20030031738-A1 Triterpene compositions and methods for use thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2003-02-13 US disclosed
US-6444233-B1 ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION 2002-09-03 US disclosed
WO-2002055016-A2 INHIBITION OF NF-λB BY TRITERPENE COMPOSITIONS RES DEV FOUNDATION (US) 2002-07-18 WO disclosed
EP-1079824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (a Nevada corporation) (US) 2001-03-07 EP disclosed
WO-1999059578-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1999-11-25 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 (6 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-20110294752-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 ALDH1A1 2759/4885HPGD 3454/4885MAPK1 2998/4885
US-20100189824-A1 TRITERPENE COMPOSITIONS AND METHODS FOR USE THEREOF OSTC, ACACA, NFATC1 ALDH1A1 2759/4885HPGD 3454/4885MAPK1 2998/4885
US-20030031738-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 ALDH1A1 2759/4885HPGD 3454/4885MAPK1 2998/4885
US-20030039705-A1 Triterpene compositions and methods for use thereof BAX, CASP3, ACACA ALDH1A1 2361/4885HPGD 3137/4885MAPK1 2061/4885
US-20060148732-A1 Inhibition of NF-kappaB by triterpene compositions NFKBIA, NFKB2, RELA ALDH1A1 1797/4885HPGD 197/4885MAPK1 286/4885
US-20060073222-A1 Triterpene compositions and methods for use thereof OSTC, ACACA, NFATC1 ALDH1A1 2759/4885HPGD 3454/4885MAPK1 2998/4885

“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.