SCHEMBL12864261

SCHEMBL12864261

CCC(=O)Cc1ccc(C(=O)OCOC(=O)c2cc3occc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL12903494 0.89 DAO (0.44) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL12864263 0.85 DAO (0.42) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL12864272 0.84 DAO (0.41) DAOHRH3MMP13MMP2KDM4E
SCHEMBL12864271 0.83 DAO (0.41) DAOHRH3MMP13MMP2RAB9A
SCHEMBL1171749 0.82 DAO (0.54) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL1171654 0.82 DAO (0.63) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL12864266 0.81 DAO (0.56) DAOHRH3ALDH1A1RAB9AKDM4E
SCHEMBL1171153 0.79 DAO (0.55) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL1171450 0.78 DAO (0.51) DAOHRH3MMP13MMP2ALDH1A1
SCHEMBL12864285 0.78 DAO (0.51) DAOHRH3MMP13MMP2ALDH1A1

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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — 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 (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 2/4885HRH3 1012/4885MMP13 3240/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885HRH3 1012/4885MMP13 3240/4885

“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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