SCHEMBL4075692

SCHEMBL4075692

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
MAPT P10636 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17993956 0.80
SCHEMBL9964234 0.75 NLRP3 (0.35) NLRP3CYP3A4CYP2C19
SCHEMBL4067419 0.74 NLRP3 (0.36) NLRP3
SCHEMBL4067956 0.71 NLRP3 (0.38) NLRP3MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL12328969 0.71 NLRP3 (0.33) NLRP3CYP3A4CYP2C19
SCHEMBL4075689 0.71 PTPN1 (0.35) NLRP3MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL4072145 0.67 PTPN1 (0.33) NLRP3MAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL30959771 0.60 NLRP3 (0.41) NLRP3CYP3A4CYP2C19ALDH1A1
SCHEMBL7230011 0.60 NLRP3 (0.41) NLRP3CYP3A4CYP2C19ALDH1A1
SCHEMBL7086501 0.60 NLRP3 (0.41) NLRP3MAPTCYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US 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-8168579-B2 Fluid detergent compositions comprising a di-amido gellant, and processes for making THE PROCTER AND GAMBLE COMPANY (US) 2012-05-01 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 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-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT NLRP3 2036/4885MAPT 1057/4885CYP2C9 555/4885

“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.