SCHEMBL874241

SCHEMBL874241

COCCOc1ccc(CC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
ACACB O00763 2/20 0.51
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 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
SCHEMBL10861821 0.86 PKM (0.58) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL3331503 0.86 PLA2G4B (0.57) POLBACACBKDM4ECYP1A2CYP2D6
SCHEMBL10076458 0.84 KDM4E (0.47) ACACBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4897331 0.84 POLB (0.53) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL17508211 0.84 TBXAS1 (0.52) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL10076459 0.84 ALDH1A1 (0.55) ACACBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9632476 0.84 LMNA (0.60) POLBACACBKDM4ECYP1A2CYP2D6
SCHEMBL15887344 0.84 POLB (0.56) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7153441 0.84 POLB (0.56) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8347541 0.84 KDM4E (0.68) POLBKDM4ECYP1A2CYP2D6PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed
EP-0118489-A1 SECONDARY ARYLETHANOLAMINES BEECHAM GROUP PLC (GB) 1984-09-19 EP disclosed
WO-1984000956-A1 SECONDARY ARYLETHANOLAMINES BEECHAM GROUP PLC (GB) 1984-03-15 WO 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 POLB 958/4885ACACB 85/4885KDM4E 454/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 POLB 958/4885ACACB 85/4885KDM4E 454/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 POLB 958/4885ACACB 85/4885KDM4E 454/4885

“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.