SCHEMBL4070765

SCHEMBL4070765

CC(Cc1cnc[nH]1)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.54
ITGB2 P05107 2/20 0.53
ICAM1 P05362 2/20 0.53
ITGAL P20701 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC7A5 Q01650 1/20 0.48
LMNA P02545 1/20 0.47
CAPN1 P07384 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4525493 0.84 CA1 (0.72) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL11158707 0.82 ITGB2 (0.58) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL1648788 0.78 HIF1A (0.44) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL27490769 0.76 CYP3A4 (0.59) CYP3A4SLC7A5
SCHEMBL1394395 0.76 CA1 (0.62) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL31188605 0.76 TAAR1 (0.55) RAB9ANPC1ALDH1A1CYP3A4MEN1
SCHEMBL10658536 0.75 CA1 (0.71) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL2420134 0.75 REN (0.49) AGTR2ITGB2ICAM1ITGALCA1
SCHEMBL19059536 0.75 SLC6A5 (0.52) ALDH1A1CYP3A4SLC7A5MEN1KMT2A
SCHEMBL11949543 0.75 RAB9A (0.79) RAB9ANPC1ALDH1A1HPGDLMNA

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 15 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-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-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-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-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-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
WO-2011112887-A1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2011-09-15 WO disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions 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
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-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 AGTR2 3149/4885ITGB2 2003/4885ICAM1 4256/4885

“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.