SCHEMBL1653007

SCHEMBL1653007

C=C(C)C(=O)OCCCOC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
THRB P10828 1/20 0.55
ALDH1A1 P00352 5/20 0.54
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL7738344 0.95 TSHR (0.70) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10150479 0.93 TSHR (0.74) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12310328 0.93 TSHR (0.74) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL182045 0.93 TSHR (0.72) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17718088 0.92 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL303014 0.91 THRB (0.65) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11600594 0.91 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9162964 0.91 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL18101451 0.88 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8501987 0.88 THRB (0.63) TSHRTHRBALDH1A1POLBAPEX1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696306-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1996-02-14 EP claimed
WO-1994025535-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1994-11-10 WO claimed
EP-3686221-B1 MIXED BRANCHED C20 SULFIDES COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2023-08-02 EP disclosed
EP-3686221-A1 MIXED BRANCHED C20 SULFIDES COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS Chevron Phillips Chemical Company LP (US) 2020-07-29 EP disclosed
EP-3397655-B1 MIXED DECYL MERCAPTANS COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2020-03-18 EP disclosed
EP-3397655-A1 MIXED DECYL MERCAPTANS COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS Chevron Phillips Chemical Company LP (US) 2018-11-07 EP disclosed
US-10000590-B2 Mixed decyl mercaptans compositions and use thereof as chain transfer agents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-06-19 US disclosed
US-20180105623-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2018-04-19 US disclosed
US-9879102-B2 Mixed decyl mercaptans compositions and use thereof as chain transfer agents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-01-30 US disclosed
WO-2017116541-A9 MIXED DECYL MERCAPTANS COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-11-02 WO disclosed
US-20170190811-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-07-06 US disclosed
US-9126919-B2 Use of mercapto-methyl esters as chain transfer agents ARKEMA FRANCE (FR) 2015-09-08 US disclosed
EP-2308453-B1 PRIMER COMPOSITION FOR METAL OXIDE CERAMICS TOKUYAMA DENTAL CORP (JP) 2014-11-12 EP disclosed
US-20140235807-A1 Use of Mercapto-Methyl Esters as Chain Transfer Agents ARKEMA FRANCE (FR) 2014-08-21 US disclosed
US-8790741-B2 Primer composition for metal oxide ceramics TOKUYAMA DENTAL CORPORATION (JP) 2014-07-29 US disclosed
US-20110143015-A1 PRIMER COMPOSITION FOR METAL OXIDE CERAMICS TOKUYAMA DENTAL CORPORATION 2011-06-16 US disclosed
EP-2308453-A1 PRIMER COMPOSITION FOR METAL OXIDE CERAMICS Tokuyama Dental Corporation (JP) 2011-04-13 EP disclosed
EP-0696306-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1996-02-14 EP disclosed
WO-1994025535-A1 THERMOSETTING COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-4054722-A PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-18 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 (5 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-20140235807-A1 Use of Mercapto-Methyl Esters as Chain Transfer Agents MGMT, MPST, BHMT2 TSHR 4448/4885THRB 3348/4885ALDH1A1 229/4885
US-20110143015-A1 PRIMER COMPOSITION FOR METAL OXIDE CERAMICS TERT, TMCO1, MED1 TSHR 2876/4885THRB 185/4885ALDH1A1 621/4885
US-20180105623-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents MPST, MBOAT1, BHMT2 TSHR 4418/4885THRB 2537/4885ALDH1A1 459/4885
US-10000590-B2 Mixed decyl mercaptans compositions and use thereof as chain transfer agents MPST, MBOAT1, BHMT2 TSHR 4418/4885THRB 2537/4885ALDH1A1 459/4885
US-20170190811-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents MPST, MBOAT1, BHMT2 TSHR 4418/4885THRB 2537/4885ALDH1A1 459/4885

“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.