SCHEMBL1003795

SCHEMBL1003795

O=C(O)c1cc2c([nH]1)C(Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CYP26A1 O43174 4/20 0.42
CYP19A1 P11511 3/20 0.41
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
HTR6 P50406 1/20 0.38
MAPT P10636 2/20 0.37
DAO P14920 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SRD5A2 P31213 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDKN1A P38936 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
SCHEMBL12777444 1.00 DDB1 (0.46) DDB1CRBNCYP26A1CYP19A1ESR1
SCHEMBL2074473 0.92 CYP26A1 (0.53) DDB1CRBNCYP26A1CYP19A1ESR1
SCHEMBL1006648 0.88 ESR1 (0.56) CYP26A1CYP19A1ESR1ESR2CDKN1A
SCHEMBL1002980 0.87 ESR1 (0.40) DDB1CRBNESR1ESR2CDKN1A
SCHEMBL1005081 0.87 CNR2 (0.44) ESR1ESR2CDKN1A
SCHEMBL1005498 0.86 DAO (0.40) CYP19A1MAPTDAOKDM4EHPGD
SCHEMBL12777447 0.86 DAO (0.40) CYP19A1MAPTDAOKDM4EHPGD
SCHEMBL1004272 0.84 PPARD (0.44) CYP26A1CYP19A1
SCHEMBL1007442 0.84 DAO (0.39) DAO
SCHEMBL1005338 0.83 RAB9A (0.44) DDB1CRBNMAPTKDM4EHPGD

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 3158/4885CYP26A1 2705/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DDB1 637/4885CRBN 3158/4885CYP26A1 2705/4885

“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.