SCHEMBL1171097

SCHEMBL1171097

CC(C)CCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.52
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 3/20 0.37

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
SCHEMBL1171135 0.92 DAO (0.50) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL12864154 0.89 DAO (0.49) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL1171173 0.87 DAO (0.63) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL1233407 0.87 DAO (0.52) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL1171198 0.86 DAO (0.55) DAOKDM4EALDH1A1GAAPKM
SCHEMBL1170986 0.85 DAO (0.56) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL1232832 0.84 DAO (0.49) DAOKDM4EALDH1A1GAAPKM
SCHEMBL1170929 0.83 DAO (0.58) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL1171059 0.83 DAO (0.54) DAOKDM4EALDH1A1GAAKMT2A
SCHEMBL12903490 0.82 DAO (0.56) DAOKDM4EALDH1A1GAAKMT2A

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — WO 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 (2 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885KDM4E 2574/4885ALDH1A1 350/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885KDM4E 2574/4885ALDH1A1 350/4885

“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.

Send feedback