SCHEMBL54669

SCHEMBL54669

C/C=C/C(=O)Oc1ccc(C(C)CCCCCC)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
MGLL Q99685 1/20 0.33
TOP2A P11388 1/20 0.32
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
PPARG P37231 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXA2R P21731 3/20 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
SCHEMBL15167151 1.00 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ACYSLTR2CYSLTR1MGLL
SCHEMBL54670 0.83 THRA (0.34) SMN1; SMN2KMT2AMGLLTOP2ATHRA
SCHEMBL54671 0.83 THRA (0.34) SMN1; SMN2KMT2AMGLLTOP2ATHRA
SCHEMBL28187749 0.83 TXNRD1 (0.33) SMN1; SMN2KMT2AMGLLTHRATHRB
SCHEMBL9842860 0.78 THRA (0.44) KMT2ACYSLTR2CYSLTR1THRATHRB
SCHEMBL9842852 0.78 THRA (0.44) KMT2ACYSLTR2CYSLTR1THRATHRB
SCHEMBL12993996 0.78 L3MBTL1 (0.39) KMT2AL3MBTL1
SCHEMBL676763 0.75 TDP1 (0.53) KMT2ACYSLTR2CYSLTR1MGLL
SCHEMBL20451 0.75 TDP1 (0.53) KMT2ACYSLTR2CYSLTR1MGLL
SCHEMBL12676246 0.75 TDP1 (0.41) SMN1; SMN2KMT2AL3MBTL1TBXA2R

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 362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9420780-B2 Composition, method for producing the composition, and phytosanitary formulation containing same RHODIA OPERATIONS (FR) 2016-08-23 US disclosed
US-20160000066-A1 Furfural derivatives as a vehicle INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (INRA) (FR) 2016-01-07 US disclosed
US-9090538-B2 Uses of esteramide compounds RHODIA OPERATIONS (FR) 2015-07-28 US disclosed
US-8981148-B2 Esteramide compounds, methods for preparing same, and uses thereof RHODIA OPERATIONS (FR) 2015-03-17 US disclosed
US-8877681-B2 Use of specific alcohol alkoxylates as an adjuvant for agrotechnical applications BASF SE (DE) 2014-11-04 US disclosed
US-8802120-B2 Bioactive agrichemical compositions and use thereof SCIESSENT LLC (US) 2014-08-12 US disclosed
EP-1659864-B1 METHOD OF PLANT GROWTH PROMOTION USING AMIDE COMPOUNDS BASF SE (DE) 2013-09-18 EP disclosed
US-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2013-08-15 US disclosed
US-20130210634-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF RHODIA OPERATIONS (FR) 2013-08-15 US disclosed
US-20130012556-A1 Bioactive Agrichemical Compositions and Use Thereof SCIESSENT LLC (US) 2013-01-10 US disclosed
US-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 US disclosed
US-4241079-A ANTHELMINTICS AND FUNGICIDES ROHM AND HAAS COMPANY (US) 1980-12-23 US disclosed
US-4235928-A Substituted cyanamides and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed
US-4225723-A Process for the preparation of substituted arylcyanoalkyl and diaryl cyanoalkylimidazoles ROHM AND HAAS COMPANY (US) 1980-09-30 US disclosed
US-4199503-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1980-04-22 US disclosed
US-4198423-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
US-4143137-A SUBSTITUTED ARYLCYANOALKYL AND DIARYLCYANOALKYLIMIDAZOLE METAL SALT COMPLEXES AND FUNGICIDAL COMPOSITIONS AND METHODS UTILIZING THEM ROHM AND HAAS COMPANY (US) 1979-03-06 US disclosed
US-4120864-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-17 US disclosed
US-4079146-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-03-14 US disclosed
US-4073921-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-02-14 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 (3 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-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS CECR2, CES2, ERLIN2 SMN1; SMN2 4363/4885KMT2A 1200/4885CYSLTR2 360/4885
US-20160000066-A1 Furfural derivatives as a vehicle C1R, FRG1, FAR1 SMN1; SMN2 3733/4885KMT2A 4210/4885CYSLTR2 1960/4885
US-20130210634-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF CNR2, CRHR2, HRH3 SMN1; SMN2 3629/4885KMT2A 969/4885CYSLTR2 138/4885

“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.