SCHEMBL6505372

SCHEMBL6505372

COc1ccccc1Oc1cccc(CN2CCN(C(=O)Cc3cccs3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MGLL Q99685 1/20 0.56
CCR8 P51685 6/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNH2 Q12809 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GFER P55789 1/20 0.52
ALOX15 P16050 1/20 0.51
GAA P10253 2/20 0.49
FAAH O00519 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6501375 0.96 POLB (0.55) POLBTSHRSMN1; SMN2MGLLCCR8
SCHEMBL6509295 0.87 CCR8 (0.68) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6504122 0.86 MEN1 (0.72) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6497241 0.85 KDM4E (0.58) SMN1; SMN2MGLLCCR8KDM4EALDH1A1
SCHEMBL6500464 0.84 KMT2A (0.63) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6495946 0.83 CCR8 (0.64) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6499343 0.83 CCR8 (0.61) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6499179 0.83 MEN1 (0.67) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6496404 0.83 MEN1 (0.67) SMN1; SMN2MGLLCCR8MEN1KMT2A
SCHEMBL6505860 0.82 CCR8 (0.62) MGLLCCR8MEN1KMT2AKCNH2

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 POLB 3458/4885TSHR 3179/4885SMN1; SMN2 4743/4885

“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.