SCHEMBL6499304

SCHEMBL6499304

c1ccc(Oc2cccc(CN3CCC4CCCCC4C3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
CCR8 P51685 4/20 0.55
TRPV6 Q9H1D0 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
FAAH O00519 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4148010 0.83 HRH3 (0.59) ALDH1A1HRH3
SCHEMBL6182247 0.83 HRH3 (0.59) ALDH1A1HRH3
SCHEMBL5116305 0.83 HRH3 (0.59) ALDH1A1HRH3
SCHEMBL25873881 0.82 HRH3 (0.58) ALDH1A1HRH3LMNAMAPT
SCHEMBL17099358 0.82 KDM4E (0.63) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL14131470 0.81 KDM4E (0.61) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL6499571 0.79 ALDH1A1 (0.75) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL6501384 0.79 ALDH1A1 (0.66) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL15635404 0.79 CCR8 (0.68) KDM4EALDH1A1TDP1HPGDHTT
SCHEMBL15634802 0.79 CCR8 (0.68) KDM4EALDH1A1TDP1HPGDHTT

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 KDM4E 4617/4885ALDH1A1 1071/4885TDP1 3425/4885

“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.