SCHEMBL1003014

SCHEMBL1003014

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
CDKN1A P38936 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL1002831 0.89 XDH (0.38) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL1004824 0.89 ALDH1A1 (0.41) MMP2ALDH1A1NPC1MEN1KMT2A
SCHEMBL1004611 0.88 MMP1 (0.45) MMP2MMP9MMP12ALDH1A1NPC1
SCHEMBL1005383 0.88 MMP1 (0.41) MMP2MMP9MMP12ESR1ESR2
SCHEMBL1005522 0.88 POLB (0.42) MMP2MMP9MMP12ESR1ESR2
SCHEMBL2074424 0.88 MMP1 (0.41) MMP2MMP9MMP12ESR1ESR2
SCHEMBL1005233 0.88 ESR1 (0.37) MMP2ESR1ESR2ALDH1A1NPC1
SCHEMBL12952158 0.88 ESR1 (0.37) MMP2CDKN1AESR1ESR2ALDH1A1
SCHEMBL12844881 0.87 MAPT (0.38) MMP2MMP9MMP12ESR1ESR2
SCHEMBL1005398 0.87 ALDH1A1 (0.40) MMP2MMP9MMP12CDKN1AESR1

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 1641/4885MMP9 1539/4885MMP12 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.