SCHEMBL4263114

SCHEMBL4263114

CCCCCCCCCCCCCCOC(=O)c1ccc(C=Cc2ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.49
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2B P18089 1/20 0.48
OPRD1 P41143 1/20 0.48
SCN5A Q14524 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
FDPS P14324 1/20 0.44
STS P08842 2/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL4263110 1.00 SMPD1 (0.49) SMPD1ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL4260954 0.92 MAPT (0.47) SMPD1MAPTNPC1RAB9AALDH1A1
SCHEMBL4260952 0.92 MAPT (0.47) SMPD1MAPTNPC1RAB9AALDH1A1
SCHEMBL4259156 0.90 MAPT (0.50) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL4259158 0.90 MAPT (0.50) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL3676645 0.88 NPC1 (0.50) SMPD1MAPTNPC1RAB9AALDH1A1
SCHEMBL3676651 0.88 NPC1 (0.50) SMPD1MAPTNPC1RAB9AALDH1A1
SCHEMBL3668852 0.88 FDPS (0.54) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL3668850 0.88 FDPS (0.54) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL4258449 0.82 MAPT (0.43) SMPD1CYP3A4MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMPD1 2020/4885ABCB11 2674/4885CYP3A4 3535/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 SMPD1 2020/4885ABCB11 2674/4885CYP3A4 3535/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 SMPD1 2020/4885ABCB11 2674/4885CYP3A4 3535/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 SMPD1 2020/4885ABCB11 2674/4885CYP3A4 3535/4885

“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.