SCHEMBL1003668

SCHEMBL1003668

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.38
ESR2 Q92731 7/20 0.38
CYP26A1 O43174 2/20 0.35
KDR P35968 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RHEB Q15382 1/20 0.33
MMP1 P03956 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL1003853 0.88 DDB1 (0.44) ESR1ESR2CYP26A1DDB1CRBN
SCHEMBL12777445 0.88 DDB1 (0.44) ESR1ESR2CYP26A1DDB1CRBN
SCHEMBL1007006 0.87 ESR1 (0.38) ESR1ESR2CYP26A1
SCHEMBL1004540 0.87 ESR1 (0.41) ESR1ESR2CYP26A1RHEB
SCHEMBL1006812 0.86 ESR1 (0.40) ESR1ESR2DDB1CRBNMMP1
SCHEMBL1006534 0.86 CYP26A1 (0.46) ESR1ESR2CYP26A1DDB1CRBN
SCHEMBL1004000 0.85 SMN1; SMN2 (0.36) ESR1ESR2CYP26A1MMP1
SCHEMBL1006240 0.84 PTGS1 (0.42) ESR1ESR2CYP26A1
SCHEMBL1006811 0.82 KDM4A (0.37) ESR1ESR2CYP26A1
SCHEMBL1004613 0.82 KDM5A (0.37) ESR1ESR2RHEB

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.