SCHEMBL1005233

SCHEMBL1005233

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NAAA Q02083 1/20 0.36
POLB P06746 2/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NPC1 O15118 1/20 0.35
BACE1 P56817 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
MMP2 P08253 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL2077101 0.89 HTR6 (0.35) ESR1ESR2NAAAPOLBNPC1
SCHEMBL1003014 0.88 MMP2 (0.39) ESR1ESR2POLBNPC1ALDH1A1
SCHEMBL2077304 0.88 ESR1 (0.39) ESR1ESR2NAAABACE1
SCHEMBL1004824 0.88 ALDH1A1 (0.41) NPC1ALDH1A1GAAMMP2LMNA
SCHEMBL1005383 0.87 MMP1 (0.41) ESR1ESR2POLBGAAMMP2
SCHEMBL1005522 0.87 POLB (0.42) ESR1ESR2POLBGAAMMP2
SCHEMBL1004611 0.87 MMP1 (0.45) POLBNPC1ALDH1A1GAAGLA
SCHEMBL2074424 0.87 MMP1 (0.41) ESR1ESR2GPR55ALDH1A1MMP2
SCHEMBL12952158 0.87 ESR1 (0.37) ESR1ESR2ALDH1A1GAAGLA
SCHEMBL2076793 0.86 CDKN1A (0.45) ESR1ESR2POLBNPC1ALDH1A1

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 4183/4885NAAA 109/4885

“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.