SCHEMBL561936

SCHEMBL561936

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.71
LMNA P02545 2/20 0.59
PKM P14618 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
TPMT P51580 1/20 0.52
EGFR P00533 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL975675 0.83 PTGS2 (1.00) PTGS2LMNAPKMCA12CA1
SCHEMBL2338863 0.83 LMNA (0.84) PTGS2LMNAPKMCA12CA1
SCHEMBL30615314 0.83 PTGS2 (1.00) PTGS2LMNAPKMCA12CA1
SCHEMBL1465618 0.82 KDM4E (0.77) PTGS2LMNAPKMCA12CA1
SCHEMBL30594704 0.82 KDM4E (0.77) PTGS2LMNAPKMCA12CA1
SCHEMBL16358844 0.82 PTGS2 (0.69) PTGS2LMNAPKMCA12CA1
SCHEMBL13065514 0.82 PTGS2 (0.69) PTGS2LMNAPKMCA12CA1
Syringic Acid SCHEMBL6072775 0.80 PTGS2 (0.92) PTGS2LMNAPKMCA12CA1
SCHEMBL407763 0.79 KDM4E (0.62) LMNACA12CA1CA2CA3
SCHEMBL4735163 0.79 PTGS2 (0.65) PTGS2LMNAPKMCA12CA1

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 14 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
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid LAILA NUTRACEUTICALS (IN) 2006-04-27 US 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 PTGS2 18/4885LMNA 1845/4885PKM 3430/4885
US-20060089409-A1 Novel analogs of 3-o-acetyl-11-keto-ß-boswellic acid KAT2B, AKR1C3, ACACB PTGS2 1866/4885LMNA 2084/4885PKM 2182/4885
US-20090318551-A1 USES OF ANALOGS OF 3-O-ACETYL-11-KETO-BETA-BOSWELLIC ACID ACACB, KAT2B, AKR1C3 PTGS2 1815/4885LMNA 1921/4885PKM 2073/4885

“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.