SCHEMBL3762875

SCHEMBL3762875

CCOC(=O)c1c(C)cc(C2CC2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL24770872 0.87 ALDH1A1 (0.43) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1
SCHEMBL3764122 0.80 ALDH1A1 (0.43) KDM4EHSD17B10SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL29175617 0.79 GPR119 (0.42) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL30030074 0.79 GPR119 (0.42) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL2571053 0.78 NR1H2 (0.51) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1
SCHEMBL7362801 0.78 POLB (0.60) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1
SCHEMBL24770883 0.78 PDE4B (0.42) KDM4ESMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL1296287 0.76 CYP3A4 (0.56) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1
SCHEMBL9523494 0.76 ALDH1A1 (0.53) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1
SCHEMBL31671010 0.76 KDM4E (0.40) KDM4EHSD17B10SMN1; SMN2CYP3A4TDP1

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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 KDM4E 4532/4885HSD17B10 2618/4885SMN1; SMN2 4838/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 KDM4E 4532/4885HSD17B10 2618/4885SMN1; SMN2 4838/4885

“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.