SCHEMBL1004611

SCHEMBL1004611

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
EED O75530 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL1004266 0.90 MMP1 (0.43) MMP1MMP2MMP9MMP12EED
SCHEMBL1003014 0.88 MMP2 (0.39) MMP2MMP9MMP12ALDH1A1KDM4E
SCHEMBL1004824 0.88 ALDH1A1 (0.41) MMP2ALDH1A1KDM4EGAANPC1
SCHEMBL2074424 0.87 MMP1 (0.41) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL12952158 0.87 ESR1 (0.37) MMP2ROCK2ALDH1A1KDM4EGLA
SCHEMBL1005383 0.87 MMP1 (0.41) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL1005233 0.87 ESR1 (0.37) MMP2ALDH1A1GLAGAANPC1
SCHEMBL1005522 0.87 POLB (0.42) MMP1MMP2MMP9MMP12KDM4E
SCHEMBL2076793 0.86 CDKN1A (0.45) ALDH1A1NPC1POLB
SCHEMBL1004070 0.86 MMP2 (0.42) MMP1MMP2MMP9MMP12ROCK2

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 MMP1 2976/4885MMP2 1641/4885MMP9 1539/4885

“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.