SCHEMBL1297753

SCHEMBL1297753

CCCCCOC(=O)C1CCC(C(=O)OCCCC)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.46
EPHX1 P07099 1/20 0.46
PPARG P37231 3/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 3/20 0.44
HCAR2 Q8TDS4 1/20 0.43
CES2 O00748 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1296772 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1297960 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1298012 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1297064 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1297536 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1297341 0.98 NAAA (0.57) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1553673 0.98 NAAA (0.55) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1296331 0.98 NAAA (0.55) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1296572 0.96 NAAA (0.59) NAAAALDH1A1EPHX2EPHX1PPARG
SCHEMBL1297087 0.96 NAAA (0.59) NAAAALDH1A1EPHX2EPHX1PPARG

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-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-20050106405-A1 Single piece closure device made of pvc BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 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 (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-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 NAAA 1278/4885ALDH1A1 2107/4885EPHX2 238/4885

“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.