SCHEMBL4240078

SCHEMBL4240078

COC(=O)c1ccc(Cc2ccc(NC3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MAPT P10636 4/20 0.62
NPC1 O15118 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EPHX2 P34913 1/20 0.47
GPR119 Q8TDV5 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4243494 0.93 ALDH1A1 (0.76) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL18361380 0.89 ALDH1A1 (0.69) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4236012 0.88 ALDH1A1 (0.75) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL11027782 0.88 ALDH1A1 (0.67) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4240714 0.86 MAPT (0.71) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL14467294 0.84 ALDH1A1 (0.66) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23724092 0.84 ALDH1A1 (0.62) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2797701 0.83 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL17832684 0.83 ALDH1A1 (0.73) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23095887 0.82 ALDH1A1 (0.72) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885MAPT 3843/4885NPC1 542/4885

“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.