SCHEMBL1004866

SCHEMBL1004866

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR4A2 P43354 1/20 0.36
MMP2 P08253 1/20 0.36
PPARD Q03181 1/20 0.35
LMNA P02545 1/20 0.35
FAAH O00519 2/20 0.35
EGFR P00533 1/20 0.35
EPHX1 P07099 1/20 0.35
XDH P47989 1/20 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
SCHEMBL1004824 0.93 ALDH1A1 (0.41) GAAALDH1A1MEN1KMT2AMMP2
SCHEMBL1004070 0.91 MMP2 (0.42) SLC6A3GAAALDH1A1NR4A2MMP2
SCHEMBL1003793 0.88 MMP1 (0.35) SLC6A3MMP2
SCHEMBL12844881 0.87 MAPT (0.38) CYP26A1GAAL3MBTL1ALDH1A1MEN1
SCHEMBL1006534 0.87 CYP26A1 (0.46) CYP26A1GAAALDH1A1MEN1KMT2A
SCHEMBL1004674 0.86 ESR1 (0.41) CYP26A1SLC6A3MEN1KMT2AMMP2
SCHEMBL1004655 0.86 NPC1 (0.37) SLC6A3SLC6A4L3MBTL1SMN1; SMN2MEN1
SCHEMBL1004177 0.86 MAPT (0.38) SLC6A3SLC6A2ALDH1A1MMP2LMNA
SCHEMBL1004812 0.86 ALDH1A1 (0.39) GAAALDH1A1MEN1KMT2AMMP2
SCHEMBL1004000 0.86 SMN1; SMN2 (0.36) CYP26A1SLC6A3L3MBTL1SMN1; SMN2ALDH1A1

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 CYP26A1 2705/4885SLC6A3 224/4885SLC6A2 617/4885

“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.