SCHEMBL277187

SCHEMBL277187

CC(C(=O)C(=O)OC(C)(C)C)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
NR4A2 P43354 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
PPARG P37231 1/20 0.47
PLA2G4B P0C869 1/20 0.47
LTA4H P09960 2/20 0.47
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EGFR P00533 2/20 0.46
LMNA P02545 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL327698 0.81 MAOB (0.51) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL6779534 0.79 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL6816962 0.79 MAOB (0.69) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL5147803 0.79 MAOB (0.57) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL277045 0.77 GAA (0.47) LMNAALDH1A1SMN1; SMN2
SCHEMBL7800195 0.77 MAOB (0.58) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL103047 0.76 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL5078379 0.76 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL169289 0.76 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL4599839 0.76 L3MBTL1 (0.66) MAOBNR4A2NR4A1NR4A3PARP10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 MAOB 3199/4885NR4A2 358/4885NR4A1 445/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 MAOB 3199/4885NR4A2 358/4885NR4A1 445/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 MAOB 2220/4885NR4A2 776/4885NR4A1 1013/4885

“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.