SCHEMBL6503017

SCHEMBL6503017

COc1ccccc1Oc1cccc(CNC2CCCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
CCR8 P51685 6/20 0.49
ALDH1A1 P00352 1/20 0.46
HTR6 P50406 4/20 0.46
BCHE P06276 2/20 0.46
SCN9A Q15858 1/20 0.46
AHCY P23526 1/20 0.43
APLNR P35414 1/20 0.43
PDE4B Q07343 1/20 0.42
KCNH2 Q12809 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
SCHEMBL28779687 0.83 USP30 (0.62) USP30HTR6BCHE
SCHEMBL22222650 0.83 USP30 (0.62) USP30HTR6BCHE
SCHEMBL7133866 0.82 USP30 (0.52) USP30ALDH1A1APLNR
SCHEMBL14740746 0.82 USP30 (0.56) USP30HTR6BCHE
SCHEMBL6505840 0.80 KMT2A (0.45) USP30CCR8HTR6BCHEAHCY
SCHEMBL28779718 0.80 USP30 (0.58) USP30HTR6BCHE
SCHEMBL28779720 0.80 USP30 (0.58) USP30HTR6BCHE
SCHEMBL29577021 0.77 USP30 (0.47) USP30ALDH1A1
SCHEMBL22774219 0.77 USP30 (0.47) USP30ALDH1A1
SCHEMBL17605512 0.77 USP30 (0.50) USP30ALDH1A1BCHE

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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 (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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 USP30 4156/4885CCR8 1/4885ALDH1A1 1071/4885

“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.