SCHEMBL6529983

SCHEMBL6529983

O=C(c1ccccc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 4/20 0.70
▸ KDM4E B2RXH2 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ LMNA P02545 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HTR2A P28223 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CCR3 P51677 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ FAAH O00519 1/20 0.57

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
SCHEMBL6531855 0.92 HTR2A (0.69) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL6530562 0.92 CCR8 (0.64) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL6344464 0.84 HTR2A (0.73) HTR2A
SCHEMBL15634802 0.84 CCR8 (0.68) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL15635404 0.84 CCR8 (0.68) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL17104844 0.83 CCR8 (0.64) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL17104843 0.83 CCR8 (0.67) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL6507394 0.82 CCR8 (0.78) CCR8CCR3
SCHEMBL3757742 0.82 FAAH (0.71) CCR8KDM4EALDH1A1LMNAGAA
SCHEMBL7417801 0.81 MCHR1 (0.68) HTR2ACCR3

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.

Send feedback