SCHEMBL4763472

SCHEMBL4763472

Cc1cc(=O)n(CC(C)C)c(=O)n1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ADRA2A P08913 4/20 0.43
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
RGS4 P49798 3/20 0.39
RGS8 P57771 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
CNR2 P34972 1/20 0.35
PDE2A O00408 1/20 0.35
PDE1A P54750 1/20 0.35

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
SCHEMBL6394776 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9849016 0.78 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11429505 0.75 RGS4 (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL1546099 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11707631 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL4768929 0.72 POLB (0.59) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1545990 0.72 ALDH1A1 (0.75) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6804165 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL8175634 0.70 ADRA2A (0.50) ALDH1A1KDM4EADRA2ATDP1L3MBTL1
SCHEMBL4469156 0.69 CNR2 (0.49) ALDH1A1KDM4EADRA2AHSD17B10POLB

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ALDH1A1 1178/4885KDM4E 3386/4885KMT2A 1806/4885

“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.