SCHEMBL946445

SCHEMBL946445

CC(C)COc1ccc(C(=O)C=Cc2ccccn2)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KDM4E B2RXH2 3/20 0.60
HSP90AA1 P07900 2/20 0.57
MAOB P27338 5/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABCG2 Q9UNQ0 4/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1B1 Q16678 1/20 0.48
APP P05067 2/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL946443 1.00 MAPT (0.60) MAPTKDM4EHSP90AA1MAOBALDH1A1
SCHEMBL25195273 0.85 MAOB (0.69) MAPTKDM4EMAOBALDH1A1ABCG2
SCHEMBL25266084 0.85 MAOB (0.69) MAPTKDM4EMAOBALDH1A1ABCG2
SCHEMBL31436325 0.80 MAPT (0.75) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL30736472 0.80 MAPT (0.75) MAPTKDM4EHSP90AA1ALDH1A1NPSR1
SCHEMBL25208475 0.79 MAOB (0.70) MAPTMAOBALDH1A1ABCG2LMNA
SCHEMBL15255815 0.78 MAPT (0.58) MAPTKDM4EHSP90AA1MAOBALDH1A1
SCHEMBL25195122 0.77 ABCG2 (0.71) MAPTKDM4EHSP90AA1MAOBALDH1A1
SCHEMBL752858 0.76 CYSLTR2 (0.62) MAPTKDM4EHSP90AA1MAOBALDH1A1
SCHEMBL752857 0.76 CYSLTR2 (0.62) MAPTKDM4EHSP90AA1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 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-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 MAPT 2520/4885KDM4E 414/4885HSP90AA1 4394/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 MAPT 2572/4885KDM4E 505/4885HSP90AA1 4432/4885

“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.