SCHEMBL6509450

SCHEMBL6509450

COc1ccc(OC(=O)N2CCCN(Cc3cccc(Oc4ccccc4OC)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.58
MGLL Q99685 2/20 0.58
CCR8 P51685 6/20 0.55
KCNH2 Q12809 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 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
SCHEMBL6504863 0.96 FAAH (0.62) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6505112 0.92 MGLL (0.66) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6498564 0.90 MGLL (0.60) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6505059 0.89 CCR8 (0.66) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6499179 0.85 MEN1 (0.67) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6495946 0.84 CCR8 (0.64) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6504971 0.83 MGLL (0.60) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6499197 0.82 MEN1 (0.59) FAAHMGLLCCR8KCNH2MEN1
SCHEMBL6500022 0.82 CCR8 (0.66) MGLLCCR8KCNH2MEN1KMT2A
SCHEMBL27253508 0.81 ALDH1A1 (0.60) FAAHMGLLMEN1KMT2AKDM4E

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 FAAH 664/4885MGLL 997/4885CCR8 1/4885

“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.