SCHEMBL4597918

SCHEMBL4597918

COC(=O)c1ccc(Cn2nc(C)c(C=O)c2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
FAAH O00519 1/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.45
AR P10275 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PTGDR2 Q9Y5Y4 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
SCHEMBL5576145 0.85 POLB (0.52) GAAKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL16832467 0.82 GAA (0.61) GAARAB9AFAAHPDE4APDE4B
SCHEMBL3320584 0.81 CMA1 (0.47) GAARAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL16855660 0.79 GAA (0.56) GAARAB9AFAAHPDE4APDE4B
SCHEMBL3322315 0.78 HPGD (0.63) GAAKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL16832427 0.78 ALDH1A1 (0.70) GAARAB9AALDH1A1L3MBTL1LMNA
SCHEMBL8511075 0.74 PTGDR2 (0.60) GAARAB9APTGDR2
SCHEMBL3080596 0.73 AR (0.53) GAARAB9AFAAHPDE4APDE4B
SCHEMBL16832447 0.72 GAA (0.54) GAARAB9AFAAHPDE4APDE4B
SCHEMBL3875434 0.70 ALDH1A1 (0.49) GAARAB9AFAAHKMT2AALDH1A1

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 GAA 4340/4885RAB9A 2707/4885FAAH 2898/4885

“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.