SCHEMBL1298520

SCHEMBL1298520

CCCOC(=O)C1CCCC(C(=O)O)C1C(=O)OCCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.55
PTPN1 P18031 2/20 0.55
PPP1CC P36873 2/20 0.55
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PEPD P12955 1/20 0.37
PPARG P37231 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 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
SCHEMBL1298604 0.95 PPM1B (0.51) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL1298521 0.91 PPM1B (0.57) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL1297916 0.90 PPM1B (0.45) PPM1BPTPN1PPP1CCALDH1A1PEPD
SCHEMBL14204531 0.89 PPM1B (0.50) PPM1BPTPN1PPP1CCPEPDTP53
SCHEMBL1297653 0.89 PPARG (0.48) PPM1BPTPN1PPP1CCPPARG
SCHEMBL1297955 0.87 PPARG (0.50) PPM1BPTPN1PPP1CCPPARG
SCHEMBL1298218 0.87 PPARG (0.50) PPM1BPTPN1PPP1CCPPARG
SCHEMBL1297804 0.87 PPARG (0.50) PPM1BPTPN1PPP1CCPPARG
SCHEMBL1298109 0.87 PPARG (0.50) PPM1BPTPN1PPP1CCPPARG
SCHEMBL1297603 0.87 PPARG (0.50) PPM1BPTPN1PPP1CCPPARG

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 12 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
US-6683030-B2 CONTAINING A CYCLOHEXANEPOLYCARBOXYLIC ACID ESTER, ESPECIALLY A DIISOALKYL 1,2-CYCLOHEXANEDICARBOXYLATE; A NONIONIC SURFACTANT; WATER; AND AN ACTIVE PLANT TREATMENT AGENT, E.G, HERBICIDE OR PLANT GROWTH REGULATOR BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-20030069135-A1 Agrotechnical formulation BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 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 (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-20030069135-A1 Agrotechnical formulation HACL2, CBR1, ACACA PPM1B 1842/4885PTPN1 3091/4885PPP1CC 3436/4885
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 PPM1B 2992/4885PTPN1 4528/4885PPP1CC 1499/4885

“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.