SCHEMBL1006832

SCHEMBL1006832

COC(=O)c1cc(/C=C/C(=O)OC(C)(C)C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
ESR1 P03372 1/20 0.38
NR1H4 Q96RI1 4/20 0.37
TTR P02766 1/20 0.36
APP P05067 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTPN1 P18031 1/20 0.35
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL1006833 1.00 ALDH1A1 (0.42) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL1081773 1.00 ALDH1A1 (0.42) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL4228997 0.87 SMN1; SMN2 (0.38) LMNAESR1NR1H4TTRAPP
SCHEMBL4228999 0.87 SMN1; SMN2 (0.38) LMNAESR1NR1H4TTRAPP
SCHEMBL19500071 0.87 TTR (0.47) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL4566309 0.81 BAZ2B (0.46) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL4566308 0.81 BAZ2B (0.46) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL23952005 0.77 BAZ2B (0.49) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL9197132 0.76 BAZ2B (0.47) ALDH1A1LMNAGAABAZ2BBAZ2A
SCHEMBL13845311 0.75 ESR1 (0.45) GAAESR1NR1H4TTRAPP

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885LMNA 4552/4885GAA 309/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885LMNA 4552/4885GAA 309/4885

“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.