SCHEMBL9964234

SCHEMBL9964234

CC(=O)OCC1C2C=CC=CC2C2C=CC(C)=CC21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4067419 0.84 NLRP3 (0.36) NLRP3
SCHEMBL4067956 0.84 NLRP3 (0.38) NLRP3CYP3A4CYP2C19
SCHEMBL9964233 0.79 PTPN1 (0.32) NLRP3CYP3A4CYP2C19
SCHEMBL4072145 0.77 PTPN1 (0.33) NLRP3CYP3A4CYP2C19
SCHEMBL4075692 0.75 NLRP3 (0.36) NLRP3CYP3A4CYP2C19
SCHEMBL4075689 0.70 PTPN1 (0.35) NLRP3CYP3A4CYP2C19
SCHEMBL11236136 0.65 APOBEC3A (0.61) NLRP3CYP3A4CYP2C19
SCHEMBL17192658 0.62
SCHEMBL12335189 0.62
SCHEMBL22812991 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365050-B1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS PROCTER & GAMBLE (US) 2016-08-10 EP disclosed
US-8309507-B2 Processes for making fluid detergent compositions comprising a di-amido gellant THE PROCTER & GAMBLE COMPANY (US) 2012-11-13 US disclosed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 US disclosed
US-20120151881-A1 PROCESSES FOR MAKING FLUID DETERGENT COMPOSITIONS COMPRISING A DI-AMIDO GELLANT FERNANDEZ PRIETO SUSANA (ES) 2012-06-21 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
EP-2365051-A1 Fluid detergent compositions comprising a di-amido gellant, and process for making The Procter & Gamble Company (US) 2011-09-14 EP 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-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT NLRP3 2036/4885CYP3A4 1815/4885CYP2C19 319/4885

“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.