SCHEMBL6529627

SCHEMBL6529627

CCOC(=O)C1CCCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.77
KDM4E B2RXH2 7/20 0.73
L3MBTL1 Q9Y468 2/20 0.69
ATM Q13315 1/20 0.69
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL1946258 0.88 L3MBTL1 (0.86) KDM4EL3MBTL1ATMALDH1A1SMN1; SMN2
Bromide SCHEMBL10462008 0.87 L3MBTL1 (0.84) KDM4EL3MBTL1ATMALDH1A1SMN1; SMN2
SCHEMBL10016602 0.84 KDM4E (1.00) KDM4EL3MBTL1ATMMEN1KMT2A
SCHEMBL17048438 0.83 CCR8 (0.69) CCR8KDM4EMEN1KMT2AALDH1A1
Cadaverine Tartrate SCHEMBL27494555 0.82 L3MBTL1 (0.76) KDM4EL3MBTL1ATMALDH1A1SMN1; SMN2
SCHEMBL14022760 0.81 L3MBTL1 (0.74) CCR8KDM4EL3MBTL1ATMALDH1A1
SCHEMBL8263564 0.81 L3MBTL1 (0.74) CCR8KDM4EL3MBTL1ATMALDH1A1
SCHEMBL1545229 0.81 L3MBTL1 (0.74) CCR8KDM4EL3MBTL1ATMALDH1A1
SCHEMBL17048422 0.80 CCR8 (0.66) CCR8KDM4EMEN1KMT2AALDH1A1
SCHEMBL15634802 0.80 CCR8 (0.68) CCR8KDM4EMEN1KMT2AALDH1A1

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 CCR8 1/4885KDM4E 4617/4885L3MBTL1 4677/4885

“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.