SCHEMBL9964233

SCHEMBL9964233

CCCCCCCCC1=CC2C(C=C1)C1C=CC(C)=CC1C2COC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
DNTT P04053 2/20 0.31
POLB P06746 2/20 0.31
POLA1 P09884 2/20 0.31
OPRM1 P35372 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL4075689 0.94 PTPN1 (0.35) PTPN1ACP1CDC25BALDH1A1CYP3A4
SCHEMBL4072145 0.89 PTPN1 (0.33) PTPN1ACP1CDC25BALDH1A1CYP3A4
SCHEMBL9964234 0.79 NLRP3 (0.35) CYP3A4CYP2C19NLRP3
SCHEMBL4067956 0.62 NLRP3 (0.38) ALDH1A1CYP3A4MAPTCYP2C19HSD17B10
Heptane SCHEMBL1680974 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10
Heptane SCHEMBL1614041 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10
Heptane SCHEMBL1190938 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10
Heptane SCHEMBL15345911 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10
Heptane SCHEMBL18725336 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10
Dodecane SCHEMBL3308504 0.59 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTPN1 3132/4885ACP1 1931/4885CDC25B 4006/4885

“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.