SCHEMBL1829443

SCHEMBL1829443

C=CCOC(=O)C1CC=CCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.34
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5699527 0.78 ALDH1A1 (0.37) TSHRPOLBGAAALDH1A1HSD17B10
SCHEMBL5699504 0.78 ALDH1A1 (0.37) TSHRPOLBGAAALDH1A1HSD17B10
SCHEMBL1580236 0.77
SCHEMBL472107 0.75 TSHR (0.59) TSHRPOLBMAPK1CYP3A4GAA
SCHEMBL3780920 0.75 TSHR (0.46) TSHRPOLBMAPK1CYP3A4GAA
SCHEMBL27814476 0.74 ALDH1A1 (0.36) TSHRPOLBMAPK1CYP3A4GAA
SCHEMBL28443036 0.72 ALDH1A1 (0.36) TSHRPOLBMAPK1CYP3A4GAA
SCHEMBL17361198 0.70 ALDH1A1 (0.40) TSHRPOLBGAATP53ALDH1A1
SCHEMBL17361179 0.70 ALDH1A1 (0.40) TSHRPOLBGAATP53ALDH1A1
SCHEMBL4200786 0.70 TSHR (0.42) TSHRPOLBMAPK1CYP3A4GAA

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
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
EP-2316469-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2316468-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-2266590-A2 Active agent delivery sytems and methods for protecting and administering active agents Shire LLC (US) 2010-12-29 EP disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 US disclosed
EP-1490090-A4 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC (US) 2006-09-20 EP disclosed
US-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 US disclosed
EP-1490090-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals Inc. (US) 2004-12-29 EP disclosed
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. 2004-04-01 US disclosed
WO-2003101476-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC. (US) 2003-12-11 WO disclosed
WO-2003079972-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PARMACEUTICALS INC. (US) 2003-10-02 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 (4 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-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP TSHR 1777/4885POLB 2312/4885MAPK1 3409/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP TSHR 1777/4885POLB 2312/4885MAPK1 3409/4885
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents HDGF, CTSA, IAPP TSHR 1777/4885POLB 2312/4885MAPK1 3409/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B TSHR 2313/4885POLB 2624/4885MAPK1 3335/4885

“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.