SCHEMBL4254468

SCHEMBL4254468

COCOc1cc(/C=C/c2ccc(C(=O)OC)cc2)cc(CC=C(C)C)c1OCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
AKR1C3 P42330 6/20 0.43
AKR1C2 P52895 4/20 0.43
PTPN1 P18031 2/20 0.43
PTGES O14684 3/20 0.43
NFKB1 P19838 1/20 0.43
STAT3 P40763 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BACE1 P56817 1/20 0.39
TUBB4A P04350 2/20 0.39

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
SCHEMBL4254472 1.00 ALOX5 (0.45) ALOX5AKR1C3AKR1C2PTPN1PTGES
SCHEMBL3670550 0.95 ALOX5 (0.49) ALOX5AKR1C3AKR1C2PTPN1PTGES
SCHEMBL3670547 0.95 ALOX5 (0.49) ALOX5AKR1C3AKR1C2PTPN1PTGES
Hydrochloric Acid SCHEMBL6138179 0.89 ALOX5 (0.57) ALOX5AKR1C3AKR1C2PTPN1PTGES
Hydrochloric Acid SCHEMBL6138177 0.89 ALOX5 (0.57) ALOX5AKR1C3AKR1C2PTPN1PTGES
SCHEMBL3669572 0.88 PTPN1 (0.46) ALOX5AKR1C3AKR1C2PTPN1PTGES
SCHEMBL3669574 0.88 PTPN1 (0.46) ALOX5AKR1C3AKR1C2PTPN1PTGES
SCHEMBL4264831 0.86 PTGES (0.48) ALOX5PTGESNFKB1STAT3NFKB2
SCHEMBL4264828 0.86 PTGES (0.48) ALOX5PTGESNFKB1STAT3NFKB2
SCHEMBL4257024 0.82 PTGS2 (0.52) ALOX5AKR1C3AKR1C2PTGESNFKB1

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 ALOX5 131/4885AKR1C3 1601/4885AKR1C2 1503/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALOX5 131/4885AKR1C3 1601/4885AKR1C2 1503/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALOX5 131/4885AKR1C3 1601/4885AKR1C2 1503/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 ALOX5 131/4885AKR1C3 1601/4885AKR1C2 1503/4885

“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.