SCHEMBL12864153

SCHEMBL12864153

CCC(C)COC(=O)c1cc2occc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.51
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL1233302 0.89 DAO (0.50) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL1233391 0.89 DAO (0.50) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL1171198 0.88 DAO (0.55) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL12864154 0.88 DAO (0.49) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL13495391 0.86 DAO (0.52) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL12864162 0.85 DAO (0.55) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL1171015 0.84 DAO (0.59) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL12879946 0.82 DAO (0.54) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL1170986 0.81 DAO (0.56) DAOMAPTKDM4EALDH1A1HPGD
SCHEMBL1171654 0.81 DAO (0.63) DAOMAPTKDM4EALDH1A1HPGD

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 2 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

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885MAPT 2275/4885KDM4E 2574/4885

“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.

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