SCHEMBL2736841

SCHEMBL2736841

CCCCn1cc(-c2ccc3c(c2)OCO3)cc(C(=O)NCCCN2CCOCC2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
POLB P06746 1/20 0.46
UBE2N P61088 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL2736855 0.87 SMN1; SMN2 (0.55) LMNAALDH1A1HPGDSMN1; SMN2CNR2
SCHEMBL2736809 0.86 CNR1 (0.52) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL2736815 0.86 CNR2 (0.64) KDM4EHSD17B10CD274LMNAALDH1A1
SCHEMBL2736798 0.84 CNR1 (0.51) KDM4EHSD17B10CD274LMNAALDH1A1
SCHEMBL2736895 0.84 HRH3 (0.51) KDM4ELMNAALDH1A1CNR2CNR1
SCHEMBL2736851 0.84 TSHR (0.48) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL2736880 0.84 CD274 (0.56) KDM4EHSD17B10CD274LMNAALDH1A1
SCHEMBL2736839 0.83 CNR2 (0.57) KDM4ELMNASMN1; SMN2CNR2CNR1
SCHEMBL2736865 0.83 CHEK1 (0.47) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL2736905 0.83 KDM4E (0.47) KDM4EHSD17B10CD274LMNAALDH1A1

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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
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-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-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 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 (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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R KDM4E 1679/4885HSD17B10 1907/4885ALOX15 1192/4885

“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.