SCHEMBL3671081

SCHEMBL3671081

COC(=O)c1ccc(C=Cc2cc(O)c(O)c(CC=C(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.58
PTGS2 P35354 3/20 0.52
PTGS1 P23219 2/20 0.52
ALOX5 P09917 4/20 0.52
OSBP P22059 1/20 0.51
AKR1C3 P42330 4/20 0.50
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
PTGES O14684 2/20 0.50
NFKB1 P19838 1/20 0.50
STAT3 P40763 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MMP2 P08253 1/20 0.50
PAK1 Q13153 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HTT P42858 2/20 0.46
AKR1C2 P52895 2/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3671080 1.00 PTPN1 (0.58) PTPN1PTGS2PTGS1ALOX5OSBP
SCHEMBL4262894 0.88 ALOX5 (0.69) PTPN1PTGS2PTGS1ALOX5AKR1C3
SCHEMBL4262896 0.88 ALOX5 (0.69) PTPN1PTGS2PTGS1ALOX5AKR1C3
SCHEMBL3673040 0.86 MAOA (0.66) PTPN1PTGS2PTGS1ALOX5OSBP
SCHEMBL3673043 0.86 MAOA (0.66) PTPN1PTGS2PTGS1ALOX5OSBP
SCHEMBL3675131 0.83 PTPN1 (0.58) PTPN1PTGS2PTGS1ALOX5AKR1C3
SCHEMBL3675133 0.83 PTPN1 (0.58) PTPN1PTGS2PTGS1ALOX5AKR1C3
SCHEMBL5793862 0.80 OSBP (0.55) PTPN1PTGS2PTGS1ALOX5OSBP
SCHEMBL5793866 0.80 OSBP (0.55) PTPN1PTGS2PTGS1ALOX5OSBP
SCHEMBL3671694 0.80 ALOX5 (0.57) PTGS2PTGS1ALOX5OSBPPTGES

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 PTPN1 4044/4885PTGS2 181/4885PTGS1 183/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885PTGS1 183/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885PTGS1 183/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTGS2 181/4885PTGS1 183/4885

“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.