SCHEMBL6505338

SCHEMBL6505338

COc1ccccc1Oc1cccc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
MGLL Q99685 1/20 0.61
CCR8 P51685 6/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
KCNH2 Q12809 3/20 0.54
FAAH O00519 3/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CACNA2D1 P54289 1/20 0.52
CACNA1B Q00975 1/20 0.52
CACNB1 Q02641 1/20 0.52

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 0.88 CCR8 (0.68) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6500506 0.87 MGLL (0.62) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6498911 0.86 MGLL (0.61) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6497076 0.86 MGLL (0.64) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6506556 0.86 ALDH1A1 (0.70) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6505977 0.85 MGLL (0.61) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6504122 0.85 MEN1 (0.72) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6495946 0.84 CCR8 (0.64) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6505112 0.83 MGLL (0.66) KDM4EALDH1A1MGLLCCR8MEN1
SCHEMBL6500464 0.83 KMT2A (0.63) KDM4EALDH1A1MGLLCCR8MEN1

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 KDM4E 4617/4885ALDH1A1 1071/4885MGLL 997/4885

“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.