SCHEMBL453610

SCHEMBL453610

CCCCCCCCCCOC(=O)C(C)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
SPHK1 Q9NYA1 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 5/20 0.43

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
SCHEMBL15796463 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL27733410 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL462188 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL138880 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL15305328 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL21184186 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL15796319 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL15305326 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
SCHEMBL15796587 1.00 NAAA (0.52) NAAAEPHX1TSHRSPHK1HCAR2
Hydrochloric Acid SCHEMBL15568552 0.98 NAAA (0.50) NAAAEPHX1TSHRSPHK1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113274-A1 Hydrocarbyl aminohydrocarbonoates and aminohydrocarbonol hydrocarbonoates as antimicrobial and antiviral agents MIDWEST RESEARCH LABORATORIES, LLC 2005-05-26 US claimed
EP-2613772-B1 LOW-DOSE TRANSDERMAL PATCHES WITH HIGH DRUG RELEASE BAYER IP GMBH (DE) 2016-12-14 EP disclosed
US-9005653-B2 Transdermal delivery of hormones with low concentration of penetration enhancers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2015-03-19 US disclosed
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-12-04 US disclosed
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. (US) 2014-12-04 US disclosed
US-8900625-B2 Antimicrobial compounds and methods of use NEXMED HOLDINGS, INC. (US) 2014-12-02 US disclosed
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE NEXMED HOLDINGS, INC. 2014-06-19 US disclosed
US-20140109916-A1 Transdermal Delivery of Hormones without the Need of Penetration Enhancers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
US-8671945-B2 Low-dose transdermal patches with high drug release BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-18 US disclosed
EP-2138169-B1 Transdermal delivery system of hormones without penetration enhancers BAYER IP GMBH (DE) 2013-11-06 EP disclosed
EP-2613772-A2 LOW-DOSE TRANSDERMAL PATCHES WITH HIGH DRUG RELEASE Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
US-20120073578-A1 LOW-DOSE TRANSDERMAL PATCHES WITH HIGH DRUG RELEASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-29 US disclosed
WO-2012031999-A2 LOW-DOSE TRANSDERMAL PATCHES WITH HIGH DRUG RELEASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
EP-2138169-A2 Transdermal delivery system of hormones without penetration enhancers Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2005058287-A2 TRANSDERMAL DELIVERY SYSTEM OF HORMONES WITHOUT PENETRATION ENHANCERS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed
US-20050142175-A1 Transdermal delivery of hormones without the need of penetration enhancers LUYE PHARMA SWITZERLAND AG (CH) 2005-06-30 US disclosed
EP-1541137-A2 Transdermal delivery system of hormones without penetration enhancers SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-15 EP disclosed
WO-2005051960-A2 HYDROCARBYL AMINOHYDROCARBONOATES AND AMINOHYDROCARBONOL HYDROCARBONOATES AS ANTIMICROBIAL AND ANTIVIRAL AGENTS MIDWEST RESEARCH LABORATORIES, LLC (US) 2005-06-09 WO disclosed
US-20050113274-A1 Hydrocarbyl aminohydrocarbonoates and aminohydrocarbonol hydrocarbonoates as antimicrobial and antiviral agents MIDWEST RESEARCH LABORATORIES, LLC 2005-05-26 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 (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-20150079163-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885EPHX1 3515/4885TSHR 4806/4885
US-20140170207-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885EPHX1 3515/4885TSHR 4806/4885
US-20140357713-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE CLPP, POLR1C, NACA NAAA 189/4885EPHX1 3515/4885TSHR 4806/4885

“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.