SCHEMBL6505185

SCHEMBL6505185

COc1ccc(C)cc1Oc1cccc(CN2CC[CH]CC2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.45
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAOB P27338 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MGLL Q99685 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6504152 0.90 CCR8 (0.52) CCR8MEN1KMT2AMAOBMGLL
SCHEMBL6501382 0.83 KMT2A (0.54) CCR8MEN1KMT2AMAOBKDM4E
SCHEMBL6505049 0.82 FAAH (0.48) CCR8MEN1KMT2AMAOBMGLL
SCHEMBL3873296 0.77 KDM4E (0.53) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL6505677 0.74 CCR8 (0.54) CCR8MEN1KMT2AMGLLKCNH2
SCHEMBL2855574 0.74 KDM4E (0.46) KMT2AMAOBKDM4ESPHK1MAPT
SCHEMBL6505189 0.74 CCR8 (0.56) CCR8MEN1KMT2AKDM4EALDH1A1
SCHEMBL2699801 0.73 SPHK1 (0.49) MAOBSPHK1KCNH2POLBSIRT1
SCHEMBL6501369 0.71 CCR8 (0.86) CCR8KCNH2
SCHEMBL3871842 0.71 SSTR5 (0.46) MAOBKDM4ESPHK1ALDH1A1MAPT

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 2 patents. 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
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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 CCR8 1/4885MEN1 3088/4885KMT2A 4477/4885

“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.