SCHEMBL3671228

SCHEMBL3671228

O=C(c1ccc(/C=C/c2ccc(O)c(O)c2)cc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54
PHGDH O43175 1/20 0.54
HPGD P15428 5/20 0.51
ERN1 O75460 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
DNMT1 P26358 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B3 P37058 1/20 0.50
PTPN1 P18031 1/20 0.50
PKM P14618 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
AKR1C3 P42330 1/20 0.49
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3671231 1.00 APP (0.56) APPHSP90AA1HSP90AB1PHGDHHPGD
SCHEMBL14358433 0.88 PHGDH (0.67) APPPHGDHHPGDL3MBTL1POLB
SCHEMBL14361896 0.88 PHGDH (0.67) APPPHGDHHPGDL3MBTL1POLB
SCHEMBL3371770 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1PHGDHHPGDERN1
SCHEMBL20866524 0.80 TRPV1 (0.72) HPGDL3MBTL1TDP1TRPV1KDM4E
SCHEMBL2484738 0.80 TRPV1 (0.72) HPGDL3MBTL1TDP1TRPV1KDM4E
SCHEMBL22708679 0.80 PHGDH (0.59) APPHSP90AA1HSP90AB1PHGDHHPGD
SCHEMBL10720943 0.78 PHGDH (0.81) PHGDHHPGDL3MBTL1POLBDNMT1
SCHEMBL1662915 0.77 PHGDH (0.65) PHGDHHPGDERN1L3MBTL1POLB
SCHEMBL4906405 0.76 PHGDH (0.63) PHGDHHPGDL3MBTL1POLBDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 APP 1625/4885HSP90AA1 52/4885HSP90AB1 34/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 APP 1625/4885HSP90AA1 52/4885HSP90AB1 34/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 APP 1625/4885HSP90AA1 52/4885HSP90AB1 34/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 APP 1625/4885HSP90AA1 52/4885HSP90AB1 34/4885

“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.