SCHEMBL346871

SCHEMBL346871

CCCCCCCCCCCCCCC(CCCCCCCCCCCC(C)CC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.61
CA2 P00918 2/20 0.59
MAPK1 P28482 1/20 0.59
GRIK1 P39086 2/20 0.56
GRIK2 Q13002 2/20 0.56
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 1/20 0.52
MAPT P10636 1/20 0.50
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL367223 1.00 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL27716926 1.00 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL346624 1.00 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL29124980 1.00 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL28089681 0.96 ACE2 (0.62) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL5878951 0.92 CHRM1 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL5878998 0.92 CHRM1 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL13046472 0.92 CA2 (0.52) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL29125000 0.92 ACE2 (0.71) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL2223259 0.92 ACE2 (0.71) ACE2CA2MAPK1GRIK1GRIK2

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
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-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-2019113813-A1 A HAIR CLEANSING COMPOSITION BEIERSDORF DAILY CHEMICAL (WUHAN) CO. LTD. (CN) 2019-06-20 WO disclosed
WO-2019115156-A1 A HAIR CLEANSING COMPOSITION BEIERSDORF AG (DE) 2019-06-20 WO 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-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

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 3207/4885CA2 4825/4885MAPK1 2390/4885

“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.