SCHEMBL1298024

SCHEMBL1298024

CC(C)COC(=O)C1CC(C(=O)OCC(C)C)C(C(=O)O)CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
TSHR P16473 4/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HTT P42858 1/20 0.36
SLC18A2 Q05940 1/20 0.35
CAPN9 O14815 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRR2 P28476 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
SCHEMBL1298020 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL2857782 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL10329700 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297747 1.00 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297720 0.92 TSHR (0.45) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1297664 0.86 RAB9A (0.40) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL1297661 0.85 RAB9A (0.42) RAB9ATSHRHSP90AA1HSP90AB1GRM2
SCHEMBL27296220 0.85 TSHR (0.43) RAB9ATSHRHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1296117 0.83 RAB9A (0.46) RAB9ATSHRSLC18A2
SCHEMBL1196705 0.82 RAB9A (0.45) RAB9ATSHRSLC18A2

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 RAB9A 2831/4885TSHR 4673/4885HSP90AA1 1488/4885
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 RAB9A 3678/4885TSHR 4746/4885HSP90AA1 4504/4885

“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.