SCHEMBL1003840

SCHEMBL1003840

COC(=O)c1cc2c([nH]1)CC/C2=C\C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
XDH P47989 3/20 0.36
ULK1 O75385 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALPL P05186 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL1003839 1.00 CYP1A2 (0.39) CYP1A2XDHULK1KDM4EGLA
SCHEMBL1004657 1.00 CYP1A2 (0.39) CYP1A2XDHULK1KDM4EGLA
SCHEMBL1003631 0.81 CYP1A2 (0.39) CYP1A2XDHULK1KDM4EGLA
SCHEMBL2074193 0.81 CYP1A2 (0.39) CYP1A2XDHULK1KDM4EGLA
SCHEMBL1004066 0.77 XDH (0.42) CYP1A2XDHKDM4EGLAGAA
SCHEMBL1004067 0.77 XDH (0.42) CYP1A2XDHKDM4EGLAGAA
SCHEMBL2076608 0.77 XDH (0.42) CYP1A2XDHKDM4EGLAGAA
SCHEMBL2074532 0.77 MAPT (0.36) CYP1A2XDHKDM4EGLAGAA
SCHEMBL2074533 0.77 MAPT (0.36) CYP1A2XDHKDM4EGLAGAA
SCHEMBL2074531 0.77 MAPT (0.36) CYP1A2XDHKDM4EGLAGAA

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 4 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
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-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 CYP1A2 2041/4885XDH 9/4885ULK1 2252/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885XDH 9/4885ULK1 2252/4885

“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.