SCHEMBL1003764

SCHEMBL1003764

COC(=O)c1cc2c([nH]1)C(Cc1cccc(OC)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

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
PPARD Q03181 1/20 0.43
CYP24A1 Q07973 2/20 0.43
CYP26A1 O43174 1/20 0.43
EED O75530 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP19A1 P11511 2/20 0.40
CHRM4 P08173 2/20 0.40
DRD2 P14416 2/20 0.40
HTR7 P34969 2/20 0.40
MTNR1A P48039 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL1004272 0.91 PPARD (0.44) MMP1MMP2MMP9MMP12PPARD
SCHEMBL1003759 0.88 ESR1 (0.51) CYP24A1CYP26A1CYP19A1
SCHEMBL1004115 0.87 MMP2 (0.41) MMP1MMP2MMP9MMP12MEN1
SCHEMBL2076153 0.87 POLB (0.44) MMP1MMP2MMP9MMP12MEN1
SCHEMBL1004611 0.83 MMP1 (0.45) MMP1MMP2MMP9MMP12PPARD
SCHEMBL1005338 0.77 RAB9A (0.44) MEN1KMT2A
SCHEMBL1004644 0.75 METAP2 (0.35) CYP24A1CYP26A1MEN1KMT2AHCRTR1
SCHEMBL1004646 0.75 HCAR2 (0.42) MTNR1A
SCHEMBL1003795 0.75 DDB1 (0.46) CYP26A1CYP19A1
SCHEMBL12777444 0.75 DDB1 (0.46) CYP26A1CYP19A1

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 7 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
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.