SCHEMBL3276465

SCHEMBL3276465

COc1cc(C(=O)CC(=O)C(C)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
RAB9A P51151 1/20 0.57
ALOX5 P09917 1/20 0.56
NFKB1 P19838 1/20 0.56
STAT3 P40763 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HTT P42858 1/20 0.55
HSD17B2 P37059 1/20 0.52
BLM P54132 2/20 0.51
CYP1A2 P05177 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL790171 0.83 SLC22A6 (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL23829906 0.81 HTT (0.67) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL29988553 0.81 HTT (0.67) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3861897 0.81 MEN1 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL17394788 0.80 SLC22A6 (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL28052189 0.80 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1491848 0.78 MEN1 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1396833 0.78 MEN1 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL28574451 0.77 MEN1 (0.72) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL6553082 0.77 MEN1 (0.62) MEN1KMT2ASLC22A6SLC22A8RAB9A

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-20100087524-A1 Flavour Improving Substances GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-04-08 US claimed
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 EP claimed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 WO claimed
EP-3334420-A1 ENCAPSULATION PROCESS Rhodia Operations (FR) 2018-06-20 EP disclosed
US-20100087524-A1 Flavour Improving Substances GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-04-08 US disclosed
US-20100087524-A1 Flavour Improving Substances GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-04-08 US disclosed
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 EP disclosed
EP-2124630-A1 FLAVOUR IMPROVING SUBSTANCES Givaudan Nederland Services B.V. (NL) 2009-12-02 EP disclosed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 WO disclosed
WO-2008105652-A1 FLAVOUR IMPROVING SUBSTANCES GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 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 (1 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-20100087524-A1 Flavour Improving Substances SDHA, DLAT, LPO MEN1 4245/4885KMT2A 1325/4885SLC22A6 809/4885

“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.