SCHEMBL1297008

SCHEMBL1297008

CC(C)(C)OC(=O)C1CC(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
GRM2 Q14416 2/20 0.41
GABRR1 P24046 5/20 0.37
MAPK1 P28482 2/20 0.37
GABRR2 P28476 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
NR1H2 P55055 1/20 0.33
GRM3 Q14832 1/20 0.33

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
SCHEMBL6162465 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL2500717 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL1297399 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL25245251 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL1297403 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL25286574 1.00 BTK (0.43) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL3148606 0.91 MAPK1 (0.41) BTKMAPK1CHRM2CHRM1CHRM3
SCHEMBL1298054 0.91 MAPK1 (0.41) BTKMAPK1CHRM2CHRM1CHRM3
SCHEMBL1101752 0.90 BTK (0.40) BTKGRM2GABRR1MAPK1GABRR2
SCHEMBL24487912 0.90 BTK (0.40) BTKGRM2GABRR1MAPK1GABRR2

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 4854/4885GRM2 892/4885GABRR1 2968/4885
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 4869/4885GRM2 1496/4885GABRR1 2429/4885

“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.