SCHEMBL2760076

SCHEMBL2760076

CCCCOc1cc(C)c(C)n(CCCC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.52
CNR1 P21554 1/20 0.44
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL216181 0.87 CNR2 (0.54) CNR2CNR1TP53TDP1L3MBTL1
SCHEMBL2736539 0.84 MAPT (0.40) CNR2TP53TDP1PDE4BKDM4E
SCHEMBL2736491 0.76 TDP1 (0.44) CNR2TP53TDP1L3MBTL1PDE4B
SCHEMBL216494 0.76 CNR2 (0.52) CNR2CNR1TDP1L3MBTL1KDM4E
SCHEMBL217634 0.76 CNR2 (0.49) CNR2CNR1TDP1L3MBTL1PDE4B
SCHEMBL216146 0.76 CNR2 (0.49) CNR2CNR1TDP1L3MBTL1PDE4B
SCHEMBL215196 0.72 CNR2 (0.46) CNR2CNR1TDP1L3MBTL1PDE4B
SCHEMBL2760206 0.72 L3MBTL1 (0.48) CNR2CNR1TDP1L3MBTL1KDM4E
SCHEMBL215944 0.72 CNR2 (0.63) CNR2CNR1TDP1L3MBTL1KDM4E
SCHEMBL12434156 0.71 ESR1 (0.49) TDP1L3MBTL1KDM4EALDH1A1LMNA

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
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R CNR2 1/4885CNR1 2/4885TP53 4820/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885TP53 4881/4885

“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.