SCHEMBL2475355

SCHEMBL2475355

Cc1ccc(OC(C)C)c(C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KMO O15229 2/20 0.40
XDH P47989 7/20 0.40
ALDH1A1 P00352 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL3389616 0.80 KDM4E (0.53) KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL2487526 0.79 XDH (0.45) XDH
SCHEMBL263251 0.76 HCRTR2 (0.50) ALDH1A1L3MBTL1KDM4E
SCHEMBL11962326 0.74 S1PR4 (0.41) KMT2AXDH
SCHEMBL262129 0.73 HCRTR1 (0.52) KMT2AKDM4E
SCHEMBL24679023 0.73 EIF4A3 (0.37) ALDH1A1KDM4E
SCHEMBL7084929 0.72 KDM4E (0.50) KMT2AKMOALDH1A1IRAK4L3MBTL1
SCHEMBL29232733 0.72 ALDH1A1 (0.50) KMT2AXDHALDH1A1KDM4EMCL1
SCHEMBL11894355 0.72 KDM4E (0.67) KMT2AKMOXDHALDH1A1L3MBTL1
SCHEMBL2373944 0.71 ALDH1A1 (0.41) KMT2AALDH1A1KDM4E

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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 EP disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 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 (2 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 KMT2A 1233/4885KMO 1859/4885XDH 1343/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B KMT2A 1395/4885KMO 2173/4885XDH 2355/4885

“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.