SCHEMBL1612759

SCHEMBL1612759

CCC([N+](=O)[O-])C(O)(O)Br

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL28716924 0.81 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL6383785 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL10952107 0.77 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL10847489 0.77 ALDH1A1 (0.44) ALDH1A1LMNATSHRHPGDHIF1A
SCHEMBL28447232 0.76 ALDH1A1 (0.38) ALDH1A1LMNATSHR
SCHEMBL30366950 0.71 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL588304 0.70 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL400260 0.69
SCHEMBL9510351 0.68 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL18471495 0.67 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200659-A1 Esters with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS (US) 2016-07-14 US disclosed
US-9290437-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2016-03-22 US disclosed
US-20150094480-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2015-04-02 US disclosed
US-8901332-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-12-02 US disclosed
US-20140275444-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-09-18 US disclosed
US-8742151-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2014-06-03 US disclosed
US-20130131365-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties TPAT IP LLC 2013-05-23 US disclosed
US-20120116115-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties DALY THOMAS (US) 2012-05-10 US disclosed
US-20110087040-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties DALY THOMAS 2011-04-14 US disclosed
US-7655819-B2 Polymers with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC (US) 2010-02-02 US disclosed
US-20090137838-A1 Esters with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS 2009-05-28 US disclosed
US-7439376-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC (US) 2008-10-21 US disclosed
US-20070276038-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2007-11-29 US disclosed
US-7193101-B2 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP (US) 2007-03-20 US disclosed
US-20060217517-A1 Polymers with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2006-09-28 US disclosed
US-20060069226-A1 Method of producing esters with antimicrobial bioresistant and fungal resistant properties TPAT IP LLC 2006-03-30 US disclosed
US-20050287094-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2005-12-29 US disclosed
US-20040002552-A1 Esters with antimicrobial, bioresistant and fungal resistant properties TPAT IP LLC 2004-01-01 US disclosed
US-20030166823-A1 Polymers with antimicrobial, bioresistant and fungal resistant properties DALY THOMAS (US) 2003-09-04 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 (10 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-20130131365-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20160200659-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20140275444-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20090137838-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20150094480-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20120116115-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20050287094-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, PUF60, MGMT ALDH1A1 3123/4885LMNA 3068/4885TSHR 4676/4885
US-20070276038-A1 Esters with antimicrobial, bioresistant and fungal resistant properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885
US-20060069226-A1 Method of producing esters with antimicrobial bioresistant and fungal resistant properties ERG28, BTD, FASN ALDH1A1 768/4885LMNA 1350/4885TSHR 3138/4885
US-20110087040-A1 Esters with Antimicrobial, Bioresistant and Fungal Resistant Properties BCAT2, MGMT, PUF60 ALDH1A1 2350/4885LMNA 2646/4885TSHR 4748/4885

“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.