SCHEMBL2470404

SCHEMBL2470404

Cc1ccc(OC(C)C)c(CO)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 7/20 0.52
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.36
S1PR4 O95977 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
CSNK2A1 P68400 2/20 0.33
ACHE P22303 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL17150183 0.84 KDM4E (0.50) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL3075399 0.81 KDM4E (0.59) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL7924923 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL264251 0.76 KDM4E (0.53) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL3395611 0.75 KDM4E (0.52) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL11962326 0.75 S1PR4 (0.41) GRM5RAB9AS1PR4MEN1KMT2A
SCHEMBL11963900 0.74 GRM5 (0.38) ALDH1A1KDM4EHPGDHSD17B10GRM5
SCHEMBL262308 0.74 KDM4E (0.50) ALDH1A1KDM4EUSP2HSD17B10GRM5
SCHEMBL17150213 0.72 KDM4E (0.49) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL24156418 0.72 S1PR4 (0.44) KDM4EHPGDUSP2HSD17B10GRM5

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
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
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

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 ALDH1A1 1507/4885KDM4E 1459/4885HPGD 732/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B ALDH1A1 882/4885KDM4E 1224/4885HPGD 2889/4885

“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.