SCHEMBL1297769

SCHEMBL1297769

COC(=O)C1CCC(C(=O)OCCCCCCCCCC(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RARB P10826 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL1297602 1.00 GAA (0.37) GAATP53PPARGCNR1CNR2
SCHEMBL1297353 1.00 GAA (0.37) GAATP53PPARGCNR1CNR2
SCHEMBL1297770 1.00 GAA (0.37) GAATP53PPARGCNR1CNR2
SCHEMBL1297193 0.98 GAA (0.38) GAATP53PPARGSMN1; SMN2NPC1
SCHEMBL1297192 0.94 GAA (0.39) GAATP53PPARGSMN1; SMN2NPC1
SCHEMBL1296701 0.94 PPARG (0.37) PPARGCNR1CNR2ESR1RARB
SCHEMBL1296923 0.94 PPARG (0.37) PPARGCNR1CNR2ESR1RARB
SCHEMBL1297049 0.94 PPARG (0.37) PPARGCNR1CNR2ESR1RARB
SCHEMBL21986996 0.94 PPARG (0.37) PPARGCNR1CNR2ESR1RARB
SCHEMBL1296674 0.94 PPARG (0.37) PPARGCNR1CNR2ESR1RARB

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 GAA 1442/4885TP53 1593/4885PPARG 1633/4885

“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.