SCHEMBL1004854

SCHEMBL1004854

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
CYP26A1 O43174 2/20 0.42
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
MMP3 P08254 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
BCL2 P10415 1/20 0.36
MMP9 P14780 1/20 0.35
ACMSD Q8TDX5 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2077165 0.93 MMP1 (0.41) ESR1ESR2CYP26A1MMP1MMP2
SCHEMBL1006707 0.90 ACMSD (0.39) ESR1ESR2CYP26A1MMP1MMP2
SCHEMBL1004674 0.88 ESR1 (0.41) ESR1ESR2CYP26A1MMP1MMP2
SCHEMBL2076657 0.88 DHODH (0.41)
SCHEMBL1006534 0.86 CYP26A1 (0.46) ESR1ESR2CYP26A1MEN1KMT2A
SCHEMBL2077375 0.84 KMO (0.43)
SCHEMBL12777445 0.84 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL1003853 0.84 DDB1 (0.44) ESR1ESR2CYP26A1
SCHEMBL1003791 0.83 ESR1 (0.36) ESR1ESR2MMP1MMP2MMP12
SCHEMBL1007274 0.82 KEAP1 (0.43) ESR1ESR2KMT2A

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 4183/4885CYP26A1 2705/4885

“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.