SCHEMBL7248705

SCHEMBL7248705

CC(O)C(C)C(C)CCO

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL258254 0.81
SCHEMBL19852714 0.81
SCHEMBL13766645 0.79 ALDH1A1 (0.32) THRBTDP1ALDH1A1ALOX15TSHR
SCHEMBL1053033 0.79 ALDH1A1 (0.32) THRBTDP1ALDH1A1ALOX15TSHR
SCHEMBL18650833 0.78
SCHEMBL8064079 0.78
SCHEMBL450651 0.78
SCHEMBL6948738 0.77 TSHR (0.40) THRBTDP1ALDH1A1ALOX15TSHR
SCHEMBL1658866 0.77 METAP1 (0.39) TDP1TSHR
SCHEMBL16074671 0.77 THRB (0.36) THRBTDP1ALDH1A1ALOX15TSHR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN claimed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2009-01-15 US disclosed
US-6630441-B2 Neutralized water insoluble amine fabric softener active containing at least two C6-C22 hydrocarbyl groups, no more than one being less than C12 and then the other at least C16; material that increases cationic charge density THE PROCTER & GAMBLE COMPANY 2003-10-07 US disclosed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN disclosed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN disclosed
CN-1272133-A Concentrated, stable, preferably clear, fabric softening compositions containing amine fabric softeners PROCTER & GAMBLE (US) 2000-11-01 CN disclosed
CN-1263552-A softener actives derived from acylated triethanolamine PROCTER & GAMBLE (US) 2000-08-16 CN disclosed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 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 (1 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-20090018184-A1 Polyether Brevetoxin Derivatives as a Treatment for Cystic Fibrosis, Mucociliary Dysfunction, and Pulmonary Diseases CFTR, MUC1, SLC47A1 THRB 2163/4885TDP1 4654/4885ALDH1A1 3628/4885

“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.