SCHEMBL6499418

SCHEMBL6499418

CCN(CCCNC(=O)Cc1ccc(F)cc1)Cc1cccc(Oc2ccccc2OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
ACKR3 P25106 2/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
CCR8 P51685 1/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
HCRTR2 O43614 1/20 0.45
RAB9A P51151 1/20 0.44
NR1H3 Q13133 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL6500080 0.94 CCR8 (0.50) APPCCR8ACHEBCHE
SCHEMBL6496812 0.92 BCHE (0.55) APPACHEBCHENR1H3
SCHEMBL6498806 0.92 ACHE (0.50) APPACHEBCHE
SCHEMBL6505559 0.91 EPHX2 (0.56) APPACKR3LTA4HEPHX2BCHE
SCHEMBL6503460 0.88 SIGMAR1 (0.52) APPACKR3
SCHEMBL6498983 0.86 APP (0.49) APPACHE
SCHEMBL6506745 0.86 ATM (0.48) APPACHEHCRTR2RAB9A
SCHEMBL6508928 0.85 GAA (0.62) APPACHEBCHE
SCHEMBL6503729 0.85 EPHX2 (0.58) LTA4HEPHX2ACHEBCHERAB9A
SCHEMBL6507792 0.83 MTNR1A (0.51) APP

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 APP 1930/4885ACKR3 17/4885LTA4H 197/4885

“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.