SCHEMBL2222992

SCHEMBL2222992

CCCCCCCCC(C)CCCOS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.49
TP53 P04637 1/20 0.47
CA1 P00915 10/20 0.44
CA2 P00918 10/20 0.44
CA9 Q16790 8/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
BLM P54132 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
SCHEMBL2223468 1.00 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL3895315 1.00 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL6157380 1.00 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL3050308 1.00 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL2232911 0.98 ACE2 (0.47) ACE2TP53CA1CA2CA9
SCHEMBL12451368 0.96 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL3894491 0.96 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL3904253 0.96 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL6156598 0.96 ACE2 (0.49) ACE2TP53CA1CA2CA9
SCHEMBL3904267 0.96 ACE2 (0.49) ACE2TP53CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933131-B2 Intermediates and surfactants useful in household cleaning and personal care compositions, and methods of making the same THE PROCTER & GAMBLE COMPANY (US) 2015-01-13 US disclosed
US-8933131-B2 Intermediates and surfactants useful in household cleaning and personal care compositions, and methods of making the same THE PROCTER & GAMBLE COMPANY (US) 2015-01-13 US disclosed
US-8933131-B2 Intermediates and surfactants useful in household cleaning and personal care compositions, and methods of making the same THE PROCTER & GAMBLE COMPANY (US) 2015-01-13 US disclosed
EP-2523652-A1 INTERMEDIATES AND SURFACTANTS USEFUL IN HOUSEHOLD CLEANING AND PERSONAL CARE COMPOSITIONS, AND METHODS OF MAKING THE SAME The Procter & Gamble Company (US) 2012-11-21 EP disclosed
WO-2011088089-A1 INTERMEDIATES AND SURFACTANTS USEFUL IN HOUSEHOLD CLEANING AND PERSONAL CARE COMPOSITIONS, AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2011-07-21 WO disclosed
US-20110171155-A1 Intermediates And Surfactants useful In Household Cleaning And Personal Care Compositions, And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2011-07-14 US disclosed
US-20110171155-A1 Intermediates And Surfactants useful In Household Cleaning And Personal Care Compositions, And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2011-07-14 US disclosed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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 (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-20110171155-A1 Intermediates And Surfactants useful In Household Cleaning And Personal Care Compositions, And Methods Of Making The Same HACD2, DSG1, HACD3 ACE2 4232/4885TP53 2807/4885CA1 3872/4885

“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.