SCHEMBL1297250

SCHEMBL1297250

CC(C)(C)OC(=O)C1CCCC(C(=O)OC(C)(C)C)C1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
PPM1B O75688 2/20 0.34
PTPN1 P18031 2/20 0.34
PPP1CC P36873 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ACE P12821 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PEPD P12955 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1297246 0.91 BTK (0.45) BTKHRH3HSD17B10ACEMAPK1
SCHEMBL1297808 0.88 BTK (0.38) BTKHRH3MAPK1HPGDCHRM2
SCHEMBL20928822 0.88 BTK (0.38) BTKHRH3PPM1BPTPN1PPP1CC
SCHEMBL23004339 0.86 BTK (0.47) BTKHSD17B10ACEMAPK1PEPD
SCHEMBL15023147 0.86 BTK (0.47) BTKHSD17B10ACEMAPK1PEPD
SCHEMBL18590666 0.86 BTK (0.47) BTKHSD17B10ACEMAPK1PEPD
SCHEMBL1296980 0.82 BTK (0.44) BTKPEPDGAA
SCHEMBL1296115 0.81 EPHX1 (0.41) BTKHRH3HSD17B10MAPK1HPGD
SCHEMBL20928654 0.81 BTK (0.41) BTKACEHPGDPEPDGPR119
SCHEMBL20928825 0.80 HPGD (0.33) BTKHRH3ACEMAPK1HPGD

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 BTK 4854/4885HRH3 757/4885PPM1B 1842/4885
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 BTK 4869/4885HRH3 1251/4885PPM1B 2992/4885

“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.