SCHEMBL4598307

SCHEMBL4598307

CCOC(=O)C1CCC(Oc2ccc(CBr)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
DGAT1 O75907 2/20 0.47
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL669097 0.85 DGAT1 (0.50) KMT2ADGAT1MEN1ALDH1A1POLB
SCHEMBL14968065 0.85 DGAT1 (0.50) KMT2ADGAT1MEN1ALDH1A1POLB
SCHEMBL14968084 0.85 DGAT1 (0.50) KMT2ADGAT1MEN1ALDH1A1POLB
SCHEMBL4598025 0.85 DGAT1 (0.50) KMT2ADGAT1MEN1ALDH1A1POLB
SCHEMBL25835533 0.85 DGAT1 (0.50) KMT2ADGAT1MEN1ALDH1A1POLB
SCHEMBL5573746 0.85 DGAT1 (0.51) DGAT1ACACB
SCHEMBL1589689 0.82 DGAT1 (0.48) KMT2ADGAT1MEN1POLBACACB
SCHEMBL14596989 0.80 DPP4 (0.52) KMT2ADGAT1MEN1ALDH1A1ACACB
SCHEMBL30754857 0.80 LIPE (0.52) DGAT1POLBSMN1; SMN2GAA
SCHEMBL1588601 0.79 MAPT (0.55) KMT2ADGAT1MEN1ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KMT2A 4627/4885DGAT1 2918/4885MEN1 4855/4885

“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.