SCHEMBL3020841

SCHEMBL3020841

CCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](N)C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
DUSP3 P51452 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.50
DGKA P23743 2/20 0.49
LPAR6 P43657 1/20 0.47
LPAR1 Q92633 1/20 0.47
LPAR4 Q99677 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
LPAR3 Q9UBY5 1/20 0.47
ENPP2 Q13822 1/20 0.47
PRKCA P17252 3/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
P2RY10 O00398 3/20 0.45

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
SCHEMBL9305139 1.00 MAPT (0.55) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL5981837 0.87 MAPT (0.39) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL26675322 0.87 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL11201945 0.87 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL22855717 0.87 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL8800631 0.87 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL22855729 0.87 MAPT (0.71) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL539662 0.86 MAPT (0.58) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL10765993 0.86 MAPT (0.58) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL11801286 0.86 MAPT (0.58) MAPTLMNAKDM4EDUSP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138149-B2 Dietary supplements and methods for treating pain and inflammation MELALEUCA, INC. (US) 2006-11-21 US claimed
US-20040185035-A1 Dietary supplements and methods for treating pain and inflammation MELALEUCA, INC., AN IDAHO CORPORATION 2004-09-23 US claimed
US-6713096-B2 FOR REDUCING PAIN, INFLAMMATION, STIFFNESS, OR DISCOMFORT IN A MAMMAL MELALEUCA, INC. 2004-03-30 US claimed
US-20030143292-A1 For reducing pain, inflammation, stiffness, or discomfort in a mammal MELALEUCA, INC. 2003-07-31 US claimed
US-20190246667-A1 Calcium-Fortified Beverages and Method of Making Thereof TROPICANA PROD INC (US) 2019-08-15 US disclosed
EP-2222193-B1 CALCIUM-FORTIFIED BEVERAGES AND METHOD OF MAKING THEREOF TROPICANA PROD INC (US) 2015-02-18 EP disclosed
US-20150037465-A1 Calcium-Fortified Beverages and Method of Making Thereof TROPICANA PRODUCTS, INC. 2015-02-05 US disclosed
EP-2222193-A1 CALCIUM-FORTIFIED BEVERAGES AND METHOD OF MAKING THEREOF TROPICANA PRODUCTS, INC. (US) 2010-09-01 EP disclosed
US-20100196578-A1 Calcium-Fortified Beverages and Method of Making Thereof TROPICANA PRODUCTS, INC. (US) 2010-08-05 US disclosed
WO-2009085596-A1 CALCIUM-FORTIFIED BEVERAGES AND METHOD OF MAKING THEREOF TROPICANA PRODUCTS, INC. (US) 2009-07-09 WO disclosed
US-20090162490-A1 CALCIUM-FORTIFIED BEVERAGES AND METHOD OF MAKING THEREOF TROPICANA PRODUCTS, INC. (US) 2009-06-25 US disclosed
US-7138149-B2 Dietary supplements and methods for treating pain and inflammation MELALEUCA, INC. (US) 2006-11-21 US disclosed
US-20040185035-A1 Dietary supplements and methods for treating pain and inflammation MELALEUCA, INC., AN IDAHO CORPORATION 2004-09-23 US disclosed
US-6713096-B2 FOR REDUCING PAIN, INFLAMMATION, STIFFNESS, OR DISCOMFORT IN A MAMMAL MELALEUCA, INC. 2004-03-30 US disclosed
US-20030143292-A1 For reducing pain, inflammation, stiffness, or discomfort in a mammal MELALEUCA, INC. 2003-07-31 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 (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-20030143292-A1 For reducing pain, inflammation, stiffness, or discomfort in a mammal TNF, IL6, IL1B MAPT 2985/4885LMNA 1216/4885KDM4E 3161/4885
US-20040185035-A1 Dietary supplements and methods for treating pain and inflammation IL6, TNF, IL1B MAPT 2697/4885LMNA 1793/4885KDM4E 3278/4885

“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.