SCHEMBL1004070

SCHEMBL1004070

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP1 P03956 2/20 0.42
MMP12 P39900 2/20 0.42
MMP9 P14780 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
SLC6A3 Q01959 2/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
BCL2 P10415 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL1004674 0.93 ESR1 (0.41) MMP2MMP1MMP12MMP9SLC6A3
SCHEMBL1003793 0.92 MMP1 (0.35) MMP2MMP1MMP12MMP9HCRTR1
SCHEMBL1004866 0.91 CYP26A1 (0.42) MMP2SLC6A3GAAALDH1A1NR4A2
SCHEMBL1004824 0.91 ALDH1A1 (0.41) MMP2GAAALDH1A1KDM4E
SCHEMBL1003670 0.89 AGXT (0.39) MMP1MMP12KDM4ECYP3A4FFAR1
SCHEMBL2077322 0.88 HCRTR1 (0.43) MMP2HCRTR1HCRTR2CYP4F2CYP4A11
SCHEMBL2077165 0.88 MMP1 (0.41) MMP2MMP1MMP12MMP9HCRTR1
SCHEMBL2075046 0.87 ESR1 (0.33) MMP2MMP1MMP12MMP9SLC6A3
SCHEMBL1003014 0.87 MMP2 (0.39) MMP2MMP12MMP9GAAALDH1A1
SCHEMBL1004547 0.86 SLC6A4 (0.43) SLC6A3GAAALDH1A1KDM4EHTT

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 8 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

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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MMP2 1641/4885MMP1 2976/4885MMP12 2065/4885

“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.