SCHEMBL2212440

SCHEMBL2212440

COc1ccc(OCC[C@H](O)CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AB1 P08238 1/20 0.39
CASR P41180 3/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL8183423 0.84 CA1 (0.49) L3MBTL1CASRTSHRMEN1KMT2A
SCHEMBL21647830 0.84 CA1 (0.49) L3MBTL1CASRTSHRMEN1KMT2A
SCHEMBL2211396 0.77 APLNR (0.40) KDM4EPOLBMAPTL3MBTL1CYP2C9
SCHEMBL2211391 0.77 APLNR (0.40) KDM4EPOLBMAPTL3MBTL1CYP2C9
SCHEMBL7955616 0.77 CA1 (0.59) GAACASRTSHRMEN1KMT2A
SCHEMBL14538694 0.77 CA1 (0.59) GAACASRTSHRMEN1KMT2A
SCHEMBL30950123 0.77 CA1 (0.59) GAACASRTSHRMEN1KMT2A
SCHEMBL23042973 0.77
SCHEMBL14119498 0.77
SCHEMBL27078172 0.77

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 9 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-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-7238710-B2 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US 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
EP-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 EP disclosed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 US disclosed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 WO 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 (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-20040198701-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 KDM4E 840/4885POLB 4613/4885MAPT 4458/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 KDM4E 869/4885POLB 4617/4885MAPT 4458/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 KDM4E 869/4885POLB 4617/4885MAPT 4458/4885

“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.