SCHEMBL8968857

SCHEMBL8968857

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.38
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL601418 0.94 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL5068871 0.91 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL9162961 0.91 TSHR (0.43) TSHRALDH1A1THRBTDP1
Methacrylic Acid SCHEMBL6545289 0.88 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL9155891 0.86 ALDH1A1 (0.43) TSHRALDH1A1THRB
SCHEMBL3624164 0.86 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL28528795 0.85 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL315270 0.84 TSHR (0.48) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL9148733 0.84 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL8982546 0.84 TSHR (0.38) TSHRALDH1A1THRBMAPTLMNA

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 18 patents. 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
WO-2017116541-A1 MIXED DECYL MERCAPTANS COMPOSITIONS AND USE THEREOF AS CHAIN TRANSFER AGENTS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-07-06 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-9631039-B1 Mixed decyl mercaptans compositions and use thereof as chain transfer agents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-04-25 US disclosed
US-9512248-B1 Mixed decyl mercaptans compositions and use thereof as chain transfer agents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-12-06 US disclosed
US-9126919-B2 Use of mercapto-methyl esters as chain transfer agents ARKEMA FRANCE (FR) 2015-09-08 US disclosed
US-20140235807-A1 Use of Mercapto-Methyl Esters as Chain Transfer Agents ARKEMA FRANCE (FR) 2014-08-21 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 4448/4885ALDH1A1 229/4885THRB 3348/4885
US-20180105623-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents MPST, MBOAT1, BHMT2 TSHR 4418/4885ALDH1A1 459/4885THRB 2537/4885
US-10000590-B2 Mixed decyl mercaptans compositions and use thereof as chain transfer agents MPST, MBOAT1, BHMT2 TSHR 4418/4885ALDH1A1 459/4885THRB 2537/4885
US-20170190811-A1 Mixed Decyl Mercaptans Compositions and Use Thereof as Chain Transfer Agents MPST, MBOAT1, BHMT2 TSHR 4418/4885ALDH1A1 459/4885THRB 2537/4885

“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.