SCHEMBL2736640

SCHEMBL2736640

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.43
AKT1 P31749 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL8825606 1.00 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11252710 0.88 ALDH1A1 (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL31384118 0.83 CHRM2 (0.51) ADRA2BKMT2AMEN1ALDH1A1LMNA
SCHEMBL758675 0.82 NPC1 (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3469756 0.82 PGR (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10689720 0.81 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL31384105 0.81 ADRB2 (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL31384128 0.81 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ETSHRL3MBTL1
SCHEMBL31384121 0.81 SLC6A2 (0.49) KCNH2ALDH1A1TDP1L3MBTL1HPGD
SCHEMBL31384098 0.80 CHRM2 (0.54) ADRA2BKCNH2ALDH1A1LMNATDP1

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 10 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

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 PGR 167/4885ADRA2A 133/4885ADRA2B 20/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R PGR 38/4885ADRA2A 144/4885ADRA2B 130/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 PGR 646/4885ADRA2A 65/4885ADRA2B 109/4885

“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.