SCHEMBL1296709

SCHEMBL1296709

CCCCCC(CCC)COC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
NAAA Q02083 2/20 0.33
SLC18A2 Q05940 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 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
Ethylene Glycol SCHEMBL1297153 0.96 PRSS1 (0.34) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296707 0.94 PRSS1 (0.40) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1297281 0.90 TSHR (0.40) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296662 0.89 ZDHHC7 (0.38) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296981 0.89 CHRM2 (0.38) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296015 0.89 CYP3A4 (0.49) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296708 0.89 CHRM2 (0.38) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1296566 0.89 PRSS1 (0.36) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1297025 0.89 PRSS1 (0.36) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1297156 0.89 MMP9 (0.39) PRSS1PRSS2PRSS3CYP3A4TP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3931175-B1 METHOD FOR PROCESSING BENZENE POLYCARBOXYLIC ACID ESTERS AND USE OF SAME TO PRODUCE CYCLOHEXANE POLYCARBOXYLIC ACID ESTERS BASF SE (DE) 2024-04-10 EP disclosed
EP-3747860-B1 NOVEL CYCLOHEXANONE BASED PLASTICISERS BASF SE (DE) 2023-07-26 EP disclosed
CN-110914232-B Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2023-03-14 CN disclosed
CN-110621739-B High-softness, non-stick and transparent styrene thermoplastic elastomer composition 英力士苯领集团股份公司 2022-12-27 CN disclosed
EP-3649100-A1 HYDROGENATION OF AROMATIC COMPOUNDS BASF SE (DE) 2020-05-13 EP disclosed
CN-110914232-A Process for hydrogenating aromatic compounds 巴斯夫欧洲公司 2020-03-24 CN disclosed
CN-110621739-A High-softness, non-stick and transparent styrene thermoplastic elastomer composition 英力士苯领集团股份公司 2019-12-27 CN disclosed
US-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed
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
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN 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 PRSS1 2733/4885PRSS2 2281/4885PRSS3 3246/4885

“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.