SCHEMBL609048

SCHEMBL609048

C1COC1.CCCCC(CC)C(=O)OCCO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL394474 0.90 CA2 (0.63) CA2CA1MAPK1ACHEGAA
Piperazine SCHEMBL11068926 0.84 CA2 (0.53) CA2CA1MAPK1ACHEGAA
Ethylene Glycol SCHEMBL9625020 0.83 CA2 (0.63) CA2CA1MAPK1ACHEGAA
SCHEMBL1428342 0.83 CA2 (0.52) CA2CA1MAPK1ACHEATM
SCHEMBL9327517 0.82 CA2 (0.61) CA2CA1MAPK1ACHEGAA
SCHEMBL154056 0.81 CA2 (0.70) CA2CA1MAPK1ACHEGAA
SCHEMBL8985885 0.81 CA2 (0.56) CA2CA1MAPK1ACHEGAA
SCHEMBL474747 0.81 CA2 (0.56) CA2CA1MAPK1ACHEGAA
SCHEMBL17626978 0.81 CA2 (0.56) CA2CA1MAPK1ACHEGAA
SCHEMBL9167701 0.81 CA2 (0.56) CA2CA1MAPK1ACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530558-B2 Plasticizers comprising poly(trimethylene ether) glycol esters E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-10 US claimed
EP-2274374-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. du Pont de Nemours and Company (US) 2011-01-19 EP claimed
US-20090281220-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 US claimed
WO-2009137443-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
EP-2207521-B1 DEODORANT COMPOSITIONS DU PONT (US) 2015-04-29 EP disclosed
EP-2838874-A1 PROCESSES FOR PREPARING POLYTRIMETHYLENE ETHER GLYCOL ESTERS E. I. Du Pont de Nemours and Company (US) 2015-02-25 EP disclosed
US-20150051326-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-19 US disclosed
US-8759559-B2 Processes for preparing polytrimethylene ether glycol esters E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 US disclosed
WO-2013158388-A1 PROCESSES FOR PREPARING POLYTRIMETHYLENE ETHER GLYCOL ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-24 WO disclosed
US-20130281723-A1 PROCESSES FOR PREPARING POLYTRIMETHYLENE ETHER GLYCOL ESTERS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-24 US disclosed
US-8530558-B2 Plasticizers comprising poly(trimethylene ether) glycol esters E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-10 US disclosed
US-8409596-B2 Deodorant compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
US-20120107260-A1 DEODORANT COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
US-8114423-B2 Deodorant compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
EP-2274374-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
EP-2207521-A2 DEODORANT COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2010-07-21 EP disclosed
US-20090281220-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 US disclosed
WO-2009137443-A1 PLASTICIZERS COMPRISING POLY(TRIMETHYLENE ETHER) GLYCOL ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009048445-A2 DEODORANT COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-16 WO disclosed
US-20090092569-A1 DEODORANT COMPOSITIONS Covation Inc. 2009-04-09 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-20130281723-A1 PROCESSES FOR PREPARING POLYTRIMETHYLENE ETHER GLYCOL ESTERS PGAM1, MCCC2, PHOSPHO1 CA2 2095/4885CA1 279/4885MAPK1 2648/4885
US-20090092569-A1 DEODORANT COMPOSITIONS DDT, PGD, HPD CA2 3013/4885CA1 2191/4885MAPK1 2991/4885
US-20120107260-A1 DEODORANT COMPOSITIONS DDT, PGD, HPD CA2 2944/4885CA1 2291/4885MAPK1 3056/4885

“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.