SCHEMBL1003853

SCHEMBL1003853

O=C(O)c1cc2c([nH]1)CCC2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
HTR6 P50406 1/20 0.38
SRD5A2 P31213 3/20 0.36
KDM4E B2RXH2 2/20 0.36
DAO P14920 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
CYP26A1 O43174 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35

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
SCHEMBL12777445 1.00 DDB1 (0.44) DDB1CRBNESR1ESR2HTR6
SCHEMBL1006534 0.92 CYP26A1 (0.46) DDB1CRBNESR1ESR2HTR6
SCHEMBL1004094 0.92 KDR (0.41) DDB1CRBNESR1ESR2HTR6
SCHEMBL2077165 0.90 MMP1 (0.41) DDB1CRBNESR1ESR2SRD5A2
SCHEMBL1004540 0.88 ESR1 (0.41) ESR1ESR2KDM4EDAOHPGD
SCHEMBL1003668 0.88 ESR1 (0.38) DDB1CRBNESR1ESR2HTR6
SCHEMBL1007006 0.88 ESR1 (0.38) ESR1ESR2KDM4EHPGDHSD17B10
SCHEMBL1006812 0.87 ESR1 (0.40) DDB1CRBNESR1ESR2
SCHEMBL12952179 0.87 ESR1 (0.40) DDB1CRBNESR1ESR2HTR6
SCHEMBL1005137 0.87 ESR1 (0.42) ESR1ESR2ALDH1A1

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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US 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 DDB1 637/4885CRBN 3158/4885ESR1 3231/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DDB1 637/4885CRBN 3158/4885ESR1 3231/4885

“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.