SCHEMBL1297245

SCHEMBL1297245

CC(C)CCCCCCCCOC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A2 Q05940 1/20 0.36
PPARG P37231 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL5523360 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL1297249 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5513562 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5523910 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5512096 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5525257 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5519589 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5519996 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5514552 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; SMN2
SCHEMBL5521817 1.00 TP53 (0.37) TP53CYP3A4GAARAB9ASMN1; 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 13 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-8535436-B2 Use of cyclohexane polycarboxylic acid derivatives for removing dust from chemical construction products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-09-17 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-20110232825-A1 CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES AS PLASTICIZERS FOR ADHESIVES AND SEALANTS BASF SE (DE) 2011-09-29 US disclosed
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-09-01 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 (2 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 TP53 3031/4885CYP3A4 575/4885GAA 3409/4885
US-20110209644-A1 Use of Cyclohexane Polycarboxylic Acid Derivatives For Removing Dust From Chemical Construction Products H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HPD, HCAR2 TP53 1593/4885CYP3A4 1195/4885GAA 1442/4885

“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.