SCHEMBL12863838

SCHEMBL12863838

CC(C)CCOC(=O)CCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.47
▸ PAOX Q6QHF9 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL12844635 0.95 CYP19A1 (0.41) TP53SMN1; SMN2CYP19A1ALDH1A1TSHR
SCHEMBL12863854 0.91 PAOX (0.45) TP53PAOXTHRATHRBSMN1; SMN2
SCHEMBL12863834 0.87 ALDH1A1 (0.46) TP53THRATHRBSMN1; SMN2ALDH1A1
SCHEMBL12863841 0.85 CYP19A1 (0.39) TP53PAOXSMN1; SMN2CYP19A1ALDH1A1
SCHEMBL10074652 0.85 CYP19A1 (0.35) TP53SMN1; SMN2CYP19A1ALDH1A1TSHR
SCHEMBL25409521 0.83 TP53 (0.49) TP53PAOXTHRBSMN1; SMN2ALDH1A1
SCHEMBL123476 0.81 THRB (0.48) TP53PAOXTHRATHRBSMN1; SMN2
SCHEMBL13485578 0.81 TP53 (0.47) TP53PAOXTHRATHRBSMN1; SMN2
SCHEMBL822424 0.80 THRB (0.47) TP53PAOXTHRATHRBSMN1; SMN2
SCHEMBL13601497 0.79 THRB (0.56) TP53PAOXTHRATHRBSMN1; SMN2

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 3 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
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 TP53 2774/4885PAOX 135/4885THRA 1876/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TP53 2774/4885PAOX 135/4885THRA 1876/4885

“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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