SCHEMBL2736592

SCHEMBL2736592

CCCCn1c2c(cc(C(=O)O)c1=O)CCc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.47
CNR1 P21554 9/20 0.47
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN11 Q06124 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2736593 0.85 CNR2 (0.69) CNR2CNR1TDP1ALDH1A1
SCHEMBL2736594 0.83 CNR2 (0.69) CNR2CNR1
SCHEMBL216924 0.74 CNR2 (0.77) CNR2CNR1
SCHEMBL216352 0.73 CNR2 (0.79) CNR2CNR1
SCHEMBL14745874 0.71 ALDH1A1 (0.37) CNR2CNR1TDP1L3MBTL1ALDH1A1
SCHEMBL14746153 0.71 CYP2A6 (0.39) TDP1L3MBTL1ALDH1A1
SCHEMBL215944 0.68 CNR2 (0.63) CNR2CNR1TDP1L3MBTL1ALDH1A1
SCHEMBL2736943 0.67 CNR2 (0.73) CNR2CNR1
SCHEMBL11637223 0.67 CNR2 (0.45) CNR2CNR1TDP1L3MBTL1ALDH1A1
SCHEMBL2745654 0.66 CNR2 (0.65) CNR2CNR1TDP1L3MBTL1ALDH1A1

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 4 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-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 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 2/4885TDP1 4271/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885TDP1 4657/4885

“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.