SCHEMBL1170889

SCHEMBL1170889

CCCCCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.53
▸ DAO P14920 2/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ MMP2 P08253 1/20 0.49
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ESR1 P03372 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42

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
SCHEMBL1171408 0.99 GPR84 (0.55) GPR84DAOMMP1MMP9MMP12
SCHEMBL12864156 0.99 GPR84 (0.55) GPR84DAOMMP1MMP9MMP12
SCHEMBL1171059 0.96 DAO (0.54) GPR84DAOMMP1MMP9MMP12
SCHEMBL1170986 0.91 DAO (0.56) GPR84DAOMMP2TSHRALDH1A1
SCHEMBL1171173 0.87 DAO (0.63) GPR84DAOMMP1MMP9MMP12
SCHEMBL1171015 0.85 DAO (0.59) DAOMMP2ALDH1A1LMNAKDM4E
SCHEMBL1171135 0.85 DAO (0.50) GPR84DAOMMP1MMP9MMP12
SCHEMBL12903809 0.85 DAO (0.50) GPR84DAOMMP1MMP9MMP12
SCHEMBL1232805 0.85 DAO (0.50) GPR84DAOMMP1MMP9MMP12
SCHEMBL12864137 0.85 DAO (0.50) GPR84DAOMMP1MMP9MMP12

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 GPR84 299/4885DAO 2/4885MMP1 2540/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 GPR84 299/4885DAO 2/4885MMP1 2540/4885

“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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