SCHEMBL6505880

SCHEMBL6505880

COc1ccccc1Oc1cccc(CN2CCC(CNC(=O)CCc3ccccc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.67
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC8 Q9BY41 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
MAOB P27338 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
ACHE P22303 3/20 0.56
BCHE P06276 2/20 0.56
FAAH O00519 2/20 0.55
KCNH2 Q12809 1/20 0.55
MGLL Q99685 1/20 0.53

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
SCHEMBL6498197 0.91 CCR8 (0.78) CCR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6509063 0.88 CCR8 (0.70) CCR8DRD2DRD4ACHEFAAH
SCHEMBL6498478 0.87 CCR8 (0.84) CCR8MAOBDRD4KCNH2
SCHEMBL6496782 0.86 CCR8 (0.70) CCR8DRD2DRD4ACHEFAAH
SCHEMBL6498431 0.85 CCR8 (0.69) CCR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6507104 0.84 CCR8 (0.63) CCR8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6497120 0.84 CCR8 (0.62) CCR8DRD2DRD4ACHEFAAH
SCHEMBL6501479 0.84 CCR8 (0.75) CCR8DRD2DRD4KCNH2
SCHEMBL6497203 0.84 CCR8 (0.75) CCR8DRD2DRD4KCNH2
SCHEMBL6497209 0.84 CCR8 (0.75) CCR8DRD2DRD4KCNH2

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CCR8 1/4885HDAC3 3652/4885HDAC4 3484/4885

“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.