SCHEMBL6505977

SCHEMBL6505977

CCC(C(=O)N1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.61
CCR8 P51685 8/20 0.59
ALDH1A1 P00352 5/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
KCNH2 Q12809 4/20 0.54
FAAH O00519 3/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL6500506 0.90 MGLL (0.62) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6498911 0.89 MGLL (0.61) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6505338 0.85 KDM4E (0.62) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6496183 0.83 CCR8 (0.80) CCR8KCNH2
SCHEMBL6509295 0.83 CCR8 (0.68) MGLLCCR8ALDH1A1MEN1KMT2A
SCHEMBL6505112 0.83 MGLL (0.66) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6497155 0.82 CCR8 (0.63) MGLLCCR8ALDH1A1MEN1KMT2A
SCHEMBL6497076 0.81 MGLL (0.64) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6506556 0.81 ALDH1A1 (0.70) MGLLCCR8ALDH1A1LMNAMEN1
SCHEMBL6500729 0.81 CCR8 (0.58) MGLLCCR8ALDH1A1MEN1KMT2A

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 MGLL 997/4885CCR8 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.