SCHEMBL561928

SCHEMBL561928

COc1cc(C=CC([O])=O)cc(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2B6 P20813 1/20 0.67
PTGS1 P23219 2/20 0.65
PKM P14618 2/20 0.65
PTGS2 P35354 1/20 0.65
ALOX5 P09917 5/20 0.62
STAT3 P40763 3/20 0.62
NFE2L2 Q16236 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
PTGES O14684 1/20 0.59
KDM4E B2RXH2 3/20 0.56
GAA P10253 3/20 0.56
APP P05067 2/20 0.56
TUBB1 Q9H4B7 1/20 0.54
MET P08581 3/20 0.54

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
SCHEMBL10085810 0.86 PKM (0.87) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL197850 0.86 PKM (0.87) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL29537849 0.86 PKM (0.87) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL14875206 0.85 ALOX5 (0.80) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL7158939 0.85 EPHX2 (0.69) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL14875201 0.85 ALOX5 (0.80) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL29566041 0.85 ALOX5 (0.80) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL6106506 0.82 ALDH1A1 (0.74) CYP2D6CYP1A2KDM4EGAATUBB1
SCHEMBL2743841 0.80 CYP1A2 (1.00) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6
SCHEMBL2743839 0.80 CYP1A2 (1.00) CYP2D6CYP1A2CYP2C9CYP3A4CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765761-B1 NOVEL ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID LAILA NUTRACEUTICALS (IN) 2013-04-03 EP claimed
US-20120035176-A1 ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID LAILA NUTRACEUTICALS 2012-02-09 US claimed
US-20090318551-A1 USES OF ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID GOKARAJU GANGA RAJU 2009-12-24 US claimed
US-7625947-B2 Analogs of 3-O-acetyl-11-keto-β-boswellic acid LAILA NUTRACEUTICALS (IN) 2009-12-01 US claimed
EP-1765761-A1 NOVEL ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID Gokaraju, Ganga, Raju (IN) 2007-03-28 EP claimed
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid LAILA NUTRACEUTICALS (IN) 2006-04-27 US claimed
WO-2005123649-A1 NOVEL ANALOGS OF 3-O-ACETYL-11-KETO-β-BOSWELLIC ACID GOKARAJU GANGA RAJU (IN) 2005-12-29 WO claimed
US-8748598-B2 Analogs of 3-O-acetyl-11-keto-beta-boswellic acid LAILA NUTRACEUTICALS (IN) 2014-06-10 US disclosed
EP-1765761-B1 NOVEL ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID LAILA NUTRACEUTICALS (IN) 2013-04-03 EP disclosed
US-20120035176-A1 ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID LAILA NUTRACEUTICALS 2012-02-09 US disclosed
US-20090318551-A1 USES OF ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID GOKARAJU GANGA RAJU 2009-12-24 US disclosed
US-20090318551-A1 USES OF ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID GOKARAJU GANGA RAJU 2009-12-24 US disclosed
US-7625947-B2 Analogs of 3-O-acetyl-11-keto-β-boswellic acid LAILA NUTRACEUTICALS (IN) 2009-12-01 US disclosed
US-7625947-B2 Analogs of 3-O-acetyl-11-keto-β-boswellic acid LAILA NUTRACEUTICALS (IN) 2009-12-01 US disclosed
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid LAILA NUTRACEUTICALS (IN) 2006-04-27 US disclosed
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid LAILA NUTRACEUTICALS (IN) 2006-04-27 US 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-20120035176-A1 ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID NFKBIA, ALOX12, ALOX15 CYP2D6 1784/4885CYP1A2 886/4885CYP2C9 1505/4885
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid KAT2B, AKR1C3, ACACB CYP2D6 1805/4885CYP1A2 2372/4885CYP2C9 2422/4885
US-20090318551-A1 USES OF ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID ACACB, KAT2B, AKR1C3 CYP2D6 1638/4885CYP1A2 2166/4885CYP2C9 2496/4885

“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.