SCHEMBL1005067

SCHEMBL1005067

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MMP2 P08253 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
ROCK2 O75116 1/20 0.31
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL1055855 0.90 ROCK2 (0.40) ESR1ESR2CACNA1FCACNA1DCACNA1S
SCHEMBL1005519 0.87 ESR1 (0.38) ESR1ESR2RXFP1ROCK2FFAR1
SCHEMBL1003014 0.85 MMP2 (0.39) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1004824 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAMMP2
SCHEMBL1005233 0.84 ESR1 (0.37) ESR1ESR2ALDH1A1GLAGAA
SCHEMBL1005522 0.84 POLB (0.42) ESR1ESR2MEN1KMT2AGAA
SCHEMBL1004611 0.84 MMP1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL1005383 0.84 MMP1 (0.41) ESR1ESR2MEN1KMT2AGAA
SCHEMBL2074424 0.84 MMP1 (0.41) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL12952158 0.84 ESR1 (0.37) ESR1ESR2MEN1KMT2AALDH1A1

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 4183/4885RXFP1 4667/4885

“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.