SCHEMBL2224408

SCHEMBL2224408

CCCCCCCCCCCCCCCCC(CCCC(C)CCCCCCCCCCCC)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.69
GRIK1 P39086 2/20 0.58
GRIK2 Q13002 2/20 0.58
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
GPR84 Q9NQS5 6/20 0.53
FFAR1 O14842 1/20 0.53
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL2223770 1.00 ACE2 (0.69) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL2226046 1.00 ACE2 (0.69) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL29125000 0.98 ACE2 (0.71) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL2223259 0.98 ACE2 (0.71) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL5879053 0.96 ACE2 (0.65) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL5879054 0.96 ACE2 (0.65) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL29124991 0.96 ACE2 (0.69) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL28089681 0.94 ACE2 (0.62) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL5879041 0.94 ACE2 (0.67) ACE2GRIK1GRIK2CA2MAPK1
SCHEMBL29124944 0.94 ACE2 (0.67) ACE2GRIK1GRIK2CA2MAPK1

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 4 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
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

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 4232/4885GRIK1 2632/4885GRIK2 2431/4885

“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.