SCHEMBL4242945

SCHEMBL4242945

COc1ccc(-c2ccccc2C2(C3CCN(C(C)CC(N)=O)CC3)OC=CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.39
BRD4 O60885 1/20 0.38
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
SLC6A12 P48065 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
CHRM3 P20309 2/20 0.35
NPY5R Q15761 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4242470 0.89 BRD4 (0.36) BRD4UBE2MDCUN1D1CHRM3NPY5R
SCHEMBL4239990 0.89 CCR5 (0.33) UBE2MDCUN1D1CHRM3KMT2AMEN1
SCHEMBL4244517 0.88 OPRM1 (0.34)
SCHEMBL4240441 0.87 S1PR1 (0.32) ALDH1A1HPGD
SCHEMBL4240155 0.86 CCR5 (0.41) UBE2MDCUN1D1CHRM3NPY5R
SCHEMBL4244329 0.86 KMT2A (0.36) UBE2MDCUN1D1SLC6A12KMT2AGAA
SCHEMBL4242941 0.78 CCR5 (0.46) TNFUBE2MDCUN1D1
SCHEMBL4245518 0.76 UBE2M (0.37) UBE2MDCUN1D1CHRM3
SCHEMBL4243373 0.74 SIGMAR1 (0.36) UBE2MDCUN1D1CHRM3NPY5RALDH1A1
SCHEMBL4241263 0.74 SYK (0.35) UBE2MDCUN1D1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
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 TNF 609/4885BRD4 1506/4885UBE2M 4562/4885

“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.