SCHEMBL1296124

SCHEMBL1296124

COC(=O)C1CCCCC1C(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 1/20 0.43
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM3 P20309 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NAAA Q02083 2/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
HTT P42858 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL14429737 0.98 EPHX1 (0.44) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL1296625 0.89 EPHX1 (0.48) EPHX1CHRM2CHRM4CHRM3NAAA
SCHEMBL28527891 0.87 SLC6A2 (0.50) SLC6A2SLC6A4CHRM2CHRM4CHRM3
SCHEMBL5518261 0.85 EPHX1 (0.42) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL2035380 0.85 EPHX1 (0.48) EPHX1CHRM2CHRM4CHRM3NAAA
SCHEMBL272354 0.85 CHRM2 (0.48) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL13595131 0.85 CHRM2 (0.48) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL11514730 0.85 CHRM2 (0.48) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL8058857 0.85 CHRM2 (0.48) EPHX1SLC6A2SLC6A4CHRM2CHRM4
SCHEMBL2780638 0.83 TP53 (0.42) EPHX1CHRM2CHRM4CHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889748-B2 Process for producing expandable styrene polymer compositions BASF SE (DE) 2014-11-18 US disclosed
US-8454744-B2 Use of polyols and cyclohexane polycarboxylic acid derivatives for the removal of dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-06-04 US disclosed
US-20120138206-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-06-07 US disclosed
US-20110291040-A1 PROCESS FOR PRODUCING EXPANDABLE STYRENE POLYMER COMPOSITIONS BASF SE (DE) 2011-12-01 US disclosed
US-20110265693-A1 Use Of Polyols And Cyclohexane Polycarboxylic Acid Derivatives For The Removal Of Dust From Chemical Construction Products Construction Research & Tecnology GMBH (DE) 2011-11-03 US disclosed
US-7337913-B2 Single piece closure device made of PVC BASF AKTIENGESELLSCHAFT (DE) 2008-03-04 US disclosed
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 EP 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 (1 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 EPHX1 279/4885SLC6A2 4747/4885SLC6A4 4613/4885

“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.