SCHEMBL2207699

SCHEMBL2207699

CC(C)OC(=O)CCCCCCN1C(=O)OCC[C@@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.40
▸ PRKCA P17252 10/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NAAA Q02083 2/20 0.33

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
SCHEMBL2210521 0.84 ALDH1A1 (0.44) ALDH1A1GAALMNAPRKCACYP2D6
SCHEMBL2211707 0.83 ALDH1A1 (0.39) ALDH1A1GAALMNAPRKCAEPHX2
SCHEMBL2213020 0.80 GAA (0.47) ALDH1A1GAALMNAPRKCA
SCHEMBL12432872 0.79 ALDH1A1 (0.46) ALDH1A1GAALMNAPRKCACYP2D6
SCHEMBL4114149 0.75 PTGER4 (0.38) —
SCHEMBL4105346 0.73 KMT2A (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL12288856 0.68 ALDH1A1 (0.47) ALDH1A1GAALMNA
SCHEMBL16088758 0.68 PTGER4 (0.46) —
SCHEMBL11624113 0.68 PTGER4 (0.46) —
SCHEMBL495050 0.67 LMNA (0.83) ALDH1A1GAALMNAPRKCAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 — — US disclosed
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 — — US disclosed
US-RE42562-E1 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA (CA) 2011-07-19 — — US disclosed
US-RE42562-E1 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA (CA) 2011-07-19 — — US disclosed
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 — — EP disclosed
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 — — US disclosed
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 — — US disclosed
US-7238710-B2 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA, LTD. (CA) 2007-07-03 — — US disclosed
WO-2007014462-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO disclosed
US-7053085-B2 A piperidin-2-one, 1,3-oxazinan-2-one, or 1,3-thiazinan-2-one compound for treatment of glaucoma, mediating the bone modeling and remodeling processes of the osteoblasts and osteoclasts; 7-{(4S)-4-[(3R)-3-hydroxy-4-phenylbutyl]-2-oxo-1,3-oxazinan-3-yl}heptanoic acid; side effect reduction MERCK & CO. INC. (US) 2006-05-30 — — US disclosed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 — — US disclosed
US-20040198701-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2004-10-07 — — 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 (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-20040198701-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 ALDH1A1 3096/4885GAA 3917/4885LMNA 2777/4885
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 ALDH1A1 2261/4885GAA 3844/4885LMNA 2798/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 ALDH1A1 3109/4885GAA 3907/4885LMNA 2765/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 ALDH1A1 3109/4885GAA 3907/4885LMNA 2765/4885

“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.

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