SCHEMBL4067427

SCHEMBL4067427

CC(=O)OCC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 3/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1F O60840 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ABCB1 P08183 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL291947 0.90 ALDH1A1 (0.57) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL291949 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL291948 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL1970488 0.87 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL4303842 0.87 ALDH1A1 (0.62) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL16310441 0.87 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL10527478 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL3327050 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL3327943 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL3328513 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB

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 24 patents — showing the first 20. 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-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
US-20140179591-A1 STRUCTURING USING AN EXTERNAL STRUCTURANT AND A COSMOTROPE THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US disclosed
EP-2746377-A1 Improved structuring using an external structurant and a cosmotrope The Procter & Gamble Company (US) 2014-06-25 EP disclosed
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
EP-2570474-A1 Stable water-soluble unit dose articles The Procter and Gamble Company (US) 2013-03-20 EP disclosed
US-20130065811-A1 STABLE WATER-SOLUBLE UNIT DOSE ARTICLE THE PROCTER & GAMBLE COMPANY 2013-03-14 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-8283100-B2 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-10-09 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
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
WO-2007136997-A2 COLOR FORMING COMPOSITIONS AND ASSOCIATED METHODS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-11-29 WO disclosed
US-20070269737-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-11-22 US disclosed
US-20070269737-A1 Color forming compositions and associated methods HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-11-22 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 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 (5 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 ALDH1A1 867/4885CYP1A2 1946/4885TSHR 3311/4885
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT ALDH1A1 1506/4885CYP1A2 835/4885TSHR 3376/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885CYP1A2 221/4885TSHR 446/4885
US-20130065811-A1 STABLE WATER-SOLUBLE UNIT DOSE ARTICLE IDUA, AQP1, DLST ALDH1A1 3400/4885CYP1A2 3552/4885TSHR 3415/4885

“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.