SCHEMBL12864154

SCHEMBL12864154

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL1171097 0.89 DAO (0.52) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL12864153 0.88 DAO (0.51) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1170986 0.84 DAO (0.56) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1171173 0.84 DAO (0.63) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1171135 0.84 DAO (0.50) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1233407 0.84 DAO (0.52) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1171059 0.82 DAO (0.54) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1171015 0.82 DAO (0.59) DAOKDM4EALDH1A1HPGDRAB9A
SCHEMBL1170889 0.81 GPR84 (0.53) DAOKDM4EALDH1A1RAB9ALMNA
SCHEMBL1233498 0.81 DAO (0.52) DAOKDM4EALDH1A1HPGDRAB9A

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 2/4885KDM4E 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.

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