SCHEMBL6506556

SCHEMBL6506556

COc1ccccc1Oc1cccc(CN2CCN(C(=O)COc3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
LMNA P02545 2/20 0.67
GAA P10253 2/20 0.67
MGLL Q99685 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
CCR8 P51685 5/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KCNH2 Q12809 3/20 0.56
KDM4E B2RXH2 2/20 0.56
FAAH O00519 2/20 0.56
ACHE P22303 1/20 0.55

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
SCHEMBL6509295 0.89 CCR8 (0.68) ALDH1A1GAAMGLLCCR8MEN1
SCHEMBL6497076 0.88 MGLL (0.64) ALDH1A1CYP3A4CYP2C9LMNAGAA
SCHEMBL5059245 0.87 ALDH1A1 (0.76) ALDH1A1CYP3A4CYP2C9LMNAGAA
SCHEMBL6530613 0.86 CCR8 (0.60) ALDH1A1CYP3A4CYP2C9LMNAGAA
SCHEMBL6504122 0.86 MEN1 (0.72) ALDH1A1LMNAGAAMGLLCCR8
SCHEMBL6505338 0.86 KDM4E (0.62) ALDH1A1CYP3A4CYP2C9LMNAGAA
SCHEMBL6495946 0.86 CCR8 (0.64) ALDH1A1GAAMGLLCCR8MEN1
SCHEMBL6505112 0.85 MGLL (0.66) ALDH1A1LMNAGAAMGLLSMN1; SMN2
SCHEMBL6500464 0.84 KMT2A (0.63) ALDH1A1MGLLCCR8MEN1KMT2A
SCHEMBL6504971 0.84 MGLL (0.60) ALDH1A1LMNAGAAMGLLSMN1; SMN2

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 ALDH1A1 1071/4885CYP3A4 1514/4885CYP2C9 2345/4885

“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.