SCHEMBL2736655

SCHEMBL2736655

C[C@H](CO)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
PGR P06401 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MDM2 Q00987 1/20 0.48
KMT2A Q03164 2/20 0.47
CES1 P23141 3/20 0.47
CES2 O00748 2/20 0.47
MAPT P10636 4/20 0.46
ATM Q13315 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL337276 1.00 L3MBTL1 (0.54) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL2736656 1.00 L3MBTL1 (0.54) L3MBTL1TDP1PGRADRA2AADRA2B
Acetophenone SCHEMBL28185290 0.92 PGR (0.47) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL8935027 0.84 TRPA1 (0.52) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL10489465 0.83 PGR (0.58) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL14665678 0.83 PGR (0.53) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL2128162 0.83 PGR (0.58) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL11230623 0.82 PGR (0.49) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL9458264 0.81 PGR (0.52) L3MBTL1TDP1PGRADRA2AADRA2B
SCHEMBL18101799 0.81 LMNA (0.51) L3MBTL1TDP1LMNAALDH1A1MAPT

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 11 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
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-5393664-A Using a culture product AJINOMOTO CO. INC. (JP) 1995-02-28 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 (3 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 L3MBTL1 2630/4885TDP1 4743/4885PGR 167/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R L3MBTL1 4225/4885TDP1 4271/4885PGR 38/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 L3MBTL1 3630/4885TDP1 4657/4885PGR 646/4885

“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.