SCHEMBL1005519

SCHEMBL1005519

C#Cc1cccc(CC2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
FFAR1 O14842 2/20 0.34
HAO1 Q9UJM8 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
PTGES O14684 1/20 0.31
ROCK2 O75116 1/20 0.31
SRD5A2 P31213 1/20 0.31
CDKN1A P38936 1/20 0.30

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
SCHEMBL1006757 0.89 ROCK2 (0.40) ESR1ESR2FFAR1ROCK2
SCHEMBL1005067 0.87 ESR1 (0.35) ESR1ESR2FFAR1RXFP1ROCK2
SCHEMBL12777445 0.84 DDB1 (0.44) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL1003853 0.84 DDB1 (0.44) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL2077165 0.83 MMP1 (0.41) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL1006812 0.83 ESR1 (0.40) ESR1ESR2DDB1CRBN
SCHEMBL12952179 0.83 ESR1 (0.40) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL1005398 0.83 ALDH1A1 (0.40) ESR1ESR2CDKN1A
SCHEMBL1003672 0.83 HCAR2 (0.40) ESR1ESR2
SCHEMBL1005137 0.83 ESR1 (0.42) ESR1ESR2

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 ESR1 3231/4885ESR2 4183/4885FFAR1 3712/4885

“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.