SCHEMBL6155751

SCHEMBL6155751

CCOC(OCC)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
FFAR1 O14842 1/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
OPRL1 P41146 5/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PNMT P11086 1/20 0.39
EPHX1 P07099 1/20 0.39
ACP3 P15309 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL10858664 0.79 AOC3 (0.51) AOC3FFAR1OPRM1OPRD1OPRK1
SCHEMBL7926083 0.78 AOC3 (0.44) AOC3FFAR1ACP3
SCHEMBL16399016 0.78 ENPP2 (0.39) FFAR1
SCHEMBL6203322 0.78 AOC3 (0.53) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL11080040 0.78 HPGD (0.41) AOC3FFAR1SLC6A4SLC6A2SLC6A3
SCHEMBL5377867 0.77 HIF1A (0.49) OPRM1SLC6A3
SCHEMBL31175995 0.77 IDO1 (0.43) OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL8309641 0.77 PTGS2 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL3141582 0.77 IDO1 (0.43) OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL3871619 0.77 CYP3A4 (0.48) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230879-B A kind of 2-((4R, 6S)-6-formoxyl-2,2-disubstituted-1,3-dioxane-4-base) acetas preparation method 新发药业有限公司 2016-08-24 CN disclosed
CN-104230879-A Simple and convenient preparation method of 2-((4R,6S)-6-formyl-2,2-disubstituted-1,3-dioxane-4-yl)acetate XINFA PHARMACEUTICAL CO LTD 2014-12-24 CN disclosed
CN-100406462-C Method for producing formylphenylboronic acids CLARIANT GMBH (DE) 2008-07-30 CN disclosed
CN-1630659-A Method for producing formylphenylboronic acids CLARIANT GMBH (DE) 2005-06-22 CN disclosed
EP-1343792-B1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS CLARIANT GMBH (DE) 2005-02-02 EP disclosed
US-6833470-B2 Reaction of protected chlorobenzaldehydes with lithium in an inert solvent and reacting lithiated product with a trihalo-, trialkoxy-, trialkylthio- or tris(dialkylamino)- borane CLARIANT GMBH (DE) 2004-12-21 US disclosed
US-20040049050-A1 Method for producing formylphenylboronic acids EUTICALS GMBH (DE) 2004-03-11 US disclosed
EP-1343792-A1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS Clariant GmbH (DE) 2003-09-17 EP disclosed
WO-2002048155-A1 METHOD FOR PRODUCING FORMYLPHENYLBORONIC ACIDS CLARIANT GMBH (DE) 2002-06-20 WO disclosed
EP-0968177-B1 METHOD FOR PRODUCING AROMATIC NITRILES BAYER AG (DE) 2002-01-23 EP disclosed
US-6162942-A Method for producing aromatic nitriles BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 US disclosed
EP-0968177-A1 METHOD FOR PRODUCING AROMATIC NITRILES Bayer Aktiengesellschaft (DE) 2000-01-05 EP disclosed
WO-1998037058-A1 METHOD FOR PRODUCING AROMATIC NITRILES BAYER AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed
US-4629737-A HYPOGLYCEMIC AGENTS; DIETETICS BEECHAM GROUP P.L.C. (GB) 1986-12-16 US disclosed
EP-0099707-B1 2-AMINOETHYL ETHER DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1986-12-10 EP disclosed
EP-0099707-A1 2-Aminoethyl ether derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1984-02-01 EP 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 (1 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-20040049050-A1 Method for producing formylphenylboronic acids MAOB, BLVRB, FOSB AOC3 708/4885FFAR1 675/4885OPRM1 3241/4885

“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.