SCHEMBL85537

SCHEMBL85537

CCOC(=O)Cc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.52
F10 P00742 14/20 0.50
F2 P00734 1/20 0.47
MTOR P42345 2/20 0.44
CMA1 P23946 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4200577 0.82 ALDH1A1 (0.57) F10MTORCMA1MEN1RAB9A
SCHEMBL76302 0.81 F10 (0.50) F10F2
SCHEMBL6596281 0.81 LIPE (0.62) LIPEMEN1RAB9AKMT2A
SCHEMBL1679537 0.80 F10 (0.52) F10F2
SCHEMBL7906874 0.80 F10 (0.53) F10
SCHEMBL16661036 0.78 MEN1 (0.43) LIPEMEN1RAB9AKMT2A
SCHEMBL21753351 0.77 F10 (0.53) F10
SCHEMBL27627184 0.75 KMT2A (0.48) F10F2KMT2A
SCHEMBL17452233 0.75 LIPE (0.60) LIPERAB9AKMT2A
SCHEMBL92872 0.75 PTGS2 (0.64) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
CN-101102818-A Medicaments comprising carbonyl compounds, and the use thereof MERCK PATENT GMBH (DE) 2008-01-09 CN disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
CN-1771237-A 1- (phenylcarbamoyl) -2- (4- (3-oxo-morpholin-4-yl) -phenylcarbamoyl) pyrrolidine derivatives and related compounds as inhibitors of coagulation factor X A in the treatment of thromboembolic disorders MERCK PATENT GMBH (DE) 2006-05-10 CN disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 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 (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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX LIPE 3665/4885F10 5/4885F2 1/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB LIPE 3587/4885F10 22/4885F2 1/4885

“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.