SCHEMBL3731235

SCHEMBL3731235

COc1cc(C(=CC(=O)CCC=C=O)c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.48
HSD17B2 P37059 2/20 0.46
CYP1A2 P05177 3/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
BLM P54132 1/20 0.45
ALOX5 P09917 4/20 0.44
NFKB1 P19838 3/20 0.44
STAT3 P40763 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CYP2D6 P10635 3/20 0.42

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
SCHEMBL18553862 0.90 PDE4A (0.52) CYP1A2CYP2C9CYP3A4CYP2C19TSHR
SCHEMBL6464814 0.79 MEN1 (0.53) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL10771572 0.78 MEN1 (0.55) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL498487 0.76 MEN1 (0.54) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL9579837 0.74 HTT (0.54) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL1490943 0.72 MEN1 (0.58) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL7713203 0.71 ALDH1A1 (0.64) HSD17B2ALOX5NFKB1CYP3A4TSHR
SCHEMBL2524593 0.70 HTT (0.59) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3691263 0.69 MEN1 (0.48) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3853620 0.68 MEN1 (0.72) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085860-B1 FORMULATIONS FOR THE TREATMENT OF GASTRO-OESOPHAGEAL REFLUX RECKITT BENCKISER HEALTHCARE (GB) 2002-10-16 EP claimed
CN-105358179-A Design of curcumin-peptide complex having improved solubility and function compared with curcumin and method for preparing curcumin-peptide complex ANYGEN CO LTD 2016-02-24 CN disclosed
US-8475850-B2 Methods and compositions for heavy metal detoxification METAPROTEOMICS, LLC (US) 2013-07-02 US disclosed
US-8241674-B2 Methods and compositions for heavy metal detoxification METAPROTEOMICS, LLC (US) 2012-08-14 US disclosed
US-20120189721-A1 METHODS AND COMPOSITIONS FOR HEAVY METAL DETOXIFICATION METAPROTEOMICS, LLC (US) 2012-07-26 US disclosed
EP-2152684-A1 METHODS AND COMPOSITIONS FOR HEAVY METAL DETOXIFICATION Metaproteomics, LLC (US) 2010-02-17 EP disclosed
US-20090155382-A1 Methods and Compositions for Heavy Metal Detoxification METAPROTEOMICS, LLC (US) 2009-06-18 US disclosed
WO-2008140842-A1 METHODS AND COMPOSITIONS FOR HEAVY METAL DETOXIFICATION METAPROTEOMICS, LLC (US) 2008-11-20 WO disclosed
EP-1085860-B1 FORMULATIONS FOR THE TREATMENT OF GASTRO-OESOPHAGEAL REFLUX RECKITT BENCKISER HEALTHCARE (GB) 2002-10-16 EP disclosed
EP-1085860-A1 FORMULATIONS FOR THE TREATMENT OF GASTRO-OESOPHAGEAL REFLUX RECKITT & COLMAN PRODUCTS LIMITED (GB) 2001-03-28 EP disclosed
WO-1999063986-A1 FORMULATIONS FOR THE TREATMENT OF GASTRO-OESOPHAGEAL REFLUX RECKITT & COLMAN PRODUCTS LIMITED (GB) 1999-12-16 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-20090155382-A1 Methods and Compositions for Heavy Metal Detoxification GSTM2, GSTA2, GSTM1 MEN1 4847/4885KMT2A 2360/4885SLC22A6 764/4885
US-20120189721-A1 METHODS AND COMPOSITIONS FOR HEAVY METAL DETOXIFICATION GSTM2, GSTA2, GSTM1 MEN1 4847/4885KMT2A 2360/4885SLC22A6 764/4885

“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.