SCHEMBL347173

SCHEMBL347173

CCCCCCCCCCCCCCC(CCCCCCCCCCCCC(C)CCC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.67
GRIK1 P39086 2/20 0.56
GRIK2 Q13002 2/20 0.56
CHRM1 P11229 1/20 0.56
AKR1A1 P14550 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA2 P00918 2/20 0.53
MAPK1 P28482 1/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
GPR84 Q9NQS5 7/20 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
SCHEMBL29125022 1.00 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL29124944 1.00 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL9726906 0.96 ACE2 (0.68) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5879041 0.96 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5878854 0.96 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL29125000 0.96 ACE2 (0.71) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL2223259 0.96 ACE2 (0.71) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL10421826 0.94 ACE2 (0.65) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5879053 0.94 ACE2 (0.65) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5879054 0.94 ACE2 (0.65) ACE2GRIK1GRIK2CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593074-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME The Procter and Gamble Company (US) 2013-05-22 EP claimed
EP-2593075-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND The Procter and Gamble Company (US) 2013-05-22 EP claimed
US-20130053300-A1 Compositions Comprising A Near Terminal-Branched Compound And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2013-02-28 US claimed
US-20120014900-A1 Personal Care Composition Comprising a Near-Terminal Branched Compound THE PROCTER & GAMBLE COMPANY 2012-01-19 US claimed
WO-2012009523-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 WO claimed
WO-2012009525-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 WO claimed
US-8883698-B2 Compositions comprising a near terminal-branched compound and methods of making the same THE PROCTER & GAMBLE CO (US) 2014-11-11 US disclosed
EP-2593074-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME The Procter and Gamble Company (US) 2013-05-22 EP disclosed
EP-2593075-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND The Procter and Gamble Company (US) 2013-05-22 EP disclosed
US-20130053300-A1 Compositions Comprising A Near Terminal-Branched Compound And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2013-02-28 US disclosed
US-20120014900-A1 Personal Care Composition Comprising a Near-Terminal Branched Compound THE PROCTER & GAMBLE COMPANY 2012-01-19 US disclosed
WO-2012009523-A2 A PERSONAL CARE COMPOSITION COMPRISING A NEAR-TERMINAL BRANCHED COMPOUND THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 WO disclosed
WO-2012009525-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 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-20120014900-A1 Personal Care Composition Comprising a Near-Terminal Branched Compound CUTA, KRT18, PARN ACE2 3207/4885GRIK1 3711/4885GRIK2 4389/4885

“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.