SCHEMBL1005034

SCHEMBL1005034

COC(=O)c1cc2c([nH]1)CCC2CC(C)(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CRBN Q96SW2 1/20 0.33
MMP2 P08253 1/20 0.33
HRH1 P35367 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SSTR4 P31391 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM3 P20309 1/20 0.32
KCNN4 O15554 1/20 0.31

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
SCHEMBL1056787 0.89 KDR (0.33) ALDH1A1GAAKMT2AMEN1SSTR4
SCHEMBL1004824 0.81 ALDH1A1 (0.41) XDHALDH1A1GAACRBNMMP2
SCHEMBL1005096 0.81 CYP1A2 (0.36) XDHKMT2AMEN1CYP1A2
SCHEMBL1003471 0.80 MMP2 (0.44) XDHALDH1A1GAAMMP2KMT2A
SCHEMBL1002763 0.78 MMP2 (0.43) XDHALDH1A1GAAMMP2HRH1
SCHEMBL1004866 0.78 CYP26A1 (0.42) XDHALDH1A1GAAMMP2KMT2A
SCHEMBL12844781 0.77 KDR (0.37)
SCHEMBL1004070 0.76 MMP2 (0.42) ALDH1A1GAAMMP2SLC6A3
SCHEMBL1002588 0.76 XDH (0.39) XDHALDH1A1GAACRBNKMT2A
SCHEMBL1002764 0.76 CYP1A2 (0.38) KMT2AMEN1CYP1A2

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 9 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

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 XDH 9/4885ALDH1A1 465/4885GAA 309/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE XDH 9/4885ALDH1A1 465/4885GAA 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.