SCHEMBL6505189

SCHEMBL6505189

COc1ccc(C)cc1Oc1cccc(CN2CCC(N)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.56
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR7 P34969 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6504157 0.89 CCR8 (0.66) CCR8KDM4EALDH1A1SIGMAR1MEN1
SCHEMBL6498562 0.82 CCR8 (0.60) CCR8KDM4EALDH1A1SIGMAR1MEN1
SCHEMBL6496921 0.82 CCR8 (0.60) CCR8KDM4EALDH1A1SIGMAR1MEN1
SCHEMBL6943757 0.82 SIGMAR1 (0.68) KDM4EALDH1A1MAPTSIGMAR1MEN1
SCHEMBL6501369 0.81 CCR8 (0.86) CCR8SIGMAR1KCNH2TSHR
Hydrochloric Acid SCHEMBL11535920 0.81 SIGMAR1 (0.67) KDM4EALDH1A1MAPTSIGMAR1MEN1
SCHEMBL6501384 0.78 ALDH1A1 (0.66) CCR8KDM4EALDH1A1SIGMAR1
SCHEMBL8352314 0.78 SIGMAR1 (0.59) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL6943838 0.78 BACE1 (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6506424 0.77 CCR8 (0.63) CCR8SIGMAR1MEN1KMT2AKCNH2

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 4617/4885ALDH1A1 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.