SCHEMBL13319928

SCHEMBL13319928

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.59
▸ POLB P06746 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ALOX15 P16050 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12864593 0.83 DAO (0.65) DAOPOLBGAAKDM4EHTR1B
SCHEMBL12864275 0.78 DAO (0.55) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12879946 0.77 DAO (0.54) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12864395 0.77 DAO (0.71) DAOPOLBGAAKDM4ENTRK1
SCHEMBL12864416 0.77 DAO (0.61) DAOPOLBGAAALDH1A1NTRK1
SCHEMBL12864397 0.76 DAO (0.59) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL1171015 0.76 DAO (0.59) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12864057 0.76 DAO (0.59) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12864153 0.75 DAO (0.51) DAOPOLBGAAALDH1A1KDM4E
SCHEMBL12863898 0.75 DAO (0.51) DAOPOLBGAAALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885POLB 2437/4885GAA 1237/4885

“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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