SCHEMBL1296980

SCHEMBL1296980

CC(C)(C)OC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
PEPD P12955 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL23004339 0.96 BTK (0.47) BTKPEPD
SCHEMBL18590666 0.96 BTK (0.47) BTKPEPD
SCHEMBL15023147 0.96 BTK (0.47) BTKPEPD
Ethylene Glycol SCHEMBL1296627 0.93 BTK (0.40) BTKPEPDEPHX1
SCHEMBL20405088 0.92 BTK (0.46) BTK
SCHEMBL1296115 0.92 EPHX1 (0.41) BTKSMN1; SMN2EPHX1GAA
Glycerin SCHEMBL2379679 0.87 BTK (0.36) BTKPEPD
SCHEMBL1297246 0.85 BTK (0.45) BTKPEPD
SCHEMBL1296390 0.84 SLC6A2 (0.46) BTKSMN1; SMN2EPHX1GAA
SCHEMBL1297250 0.82 BTK (0.42) BTKPEPDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321433-B Synthesis method of tert-butyl 3- (hydroxymethyl) cyclohexanecarboxylate 凯美克(上海)医药科技有限公司 2021-04-27 CN claimed
CN-112321433-A Synthesis method of tert-butyl 3- (hydroxymethyl) cyclohexanecarboxylate 凯美克(上海)医药科技有限公司 2021-02-05 CN claimed
JP-11029529-A None JP disclosed
CN-112321433-B Synthesis method of tert-butyl 3- (hydroxymethyl) cyclohexanecarboxylate 凯美克(上海)医药科技有限公司 2021-04-27 CN disclosed
CN-112321433-A Synthesis method of tert-butyl 3- (hydroxymethyl) cyclohexanecarboxylate 凯美克(上海)医药科技有限公司 2021-02-05 CN 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-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
JP-H1129529-A T-BUTYL ESTERS OF HYDRO-AROMATIC CARBOXYLIC ACID HONSHU CHEM IND CO LTD 1999-02-02 JP 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 BTK 4869/4885PEPD 849/4885ALDH1A1 2107/4885

“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.