SCHEMBL4067956

SCHEMBL4067956

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.38
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.31
MAPT P10636 3/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL9964234 0.84 NLRP3 (0.35) NLRP3CYP3A4CYP2C19
SCHEMBL4067419 0.83 NLRP3 (0.36) NLRP3
SCHEMBL4072145 0.76 PTPN1 (0.33) NLRP3ALDH1A1HSD17B10CYP3A4CYP2C19
SCHEMBL4075692 0.71 NLRP3 (0.36) NLRP3ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL30959771 0.71 NLRP3 (0.41) NLRP3ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL454418 0.71 NLRP3 (0.41) NLRP3ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL7230011 0.71 NLRP3 (0.41) NLRP3ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL7086501 0.71 NLRP3 (0.41) NLRP3ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL2532368 0.70 ALDH1A1 (0.43) NLRP3ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL2532362 0.70 ALDH1A1 (0.43) NLRP3ALDH1A1HSD17B10LMNACYP3A4

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-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions 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 2036/4885ALDH1A1 1506/4885HSD17B10 1620/4885

“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.