SCHEMBL1004674

SCHEMBL1004674

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
CYP26A1 O43174 1/20 0.37
MMP9 P14780 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.35
MMP3 P08254 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
BCL2 P10415 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL1004070 0.93 MMP2 (0.42) ESR1ESR2MMP1MMP2MMP12
SCHEMBL1003793 0.91 MMP1 (0.35) ESR1ESR2MMP1MMP2MMP12
SCHEMBL1003670 0.89 AGXT (0.39) MMP1MMP12MEN1KMT2A
SCHEMBL1004854 0.88 ESR1 (0.44) ESR1ESR2MMP1MMP2MMP12
SCHEMBL1004866 0.86 CYP26A1 (0.42) MMP2CYP26A1MEN1KMT2ASLC6A3
SCHEMBL2077322 0.85 HCRTR1 (0.43) MMP2CYP4F2CYP4A11
SCHEMBL2075046 0.84 ESR1 (0.33) ESR1ESR2MMP1MMP2MMP12
SCHEMBL1003014 0.84 MMP2 (0.39) ESR1ESR2MMP2MMP12MMP9
SCHEMBL1004824 0.84 ALDH1A1 (0.41) MMP2MEN1KMT2A
SCHEMBL1004547 0.83 SLC6A4 (0.43) KMT2ASLC6A3

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 ESR1 3231/4885ESR2 4183/4885MMP1 2976/4885

“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.