SCHEMBL6503729

SCHEMBL6503729

CCN(CCNC(=O)Cc1ccc(F)cc1)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
LTA4H P09960 4/20 0.58
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGES O14684 1/20 0.44
CETP P11597 1/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
KDM4E B2RXH2 2/20 0.44
BCHE P06276 1/20 0.43
MCHR1 Q99705 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6505559 0.94 EPHX2 (0.56) EPHX2LTA4HTSHRHSD17B10RAB9A
SCHEMBL6504830 0.88 BCHE (0.54) EPHX2LTA4HTSHRHSD17B10ALDH1A1
SCHEMBL6508701 0.88 KDM4E (0.50) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6498560 0.87 MEN1 (0.62) TSHRHSD17B10RAB9AMEN1KMT2A
SCHEMBL6498720 0.85 BCHE (0.59) TSHRHSD17B10KMT2AACHEBCHE
SCHEMBL6499418 0.85 APP (0.46) EPHX2LTA4HRAB9AACHEBCHE
SCHEMBL6500610 0.83 GAA (0.59) TSHRHSD17B10MEN1KMT2APTGES
SCHEMBL6499688 0.83 CYP1A2 (0.56) TSHRHSD17B10RAB9AALDH1A1MEN1
SCHEMBL6507435 0.83 RAB9A (0.49) TSHRHSD17B10RAB9AALDH1A1MEN1
SCHEMBL6499395 0.83 BCHE (0.56) EPHX2LTA4HTSHRHSD17B10BCHE

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 EPHX2 796/4885LTA4H 197/4885TSHR 3179/4885

“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.