SCHEMBL818273

SCHEMBL818273

COC(=O)C1=CCC(C(=O)OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
CHRM3 P20309 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
THRB P10828 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 1/20 0.36
PTPN1 P18031 1/20 0.36
CES2 O00748 1/20 0.36
GABRR1 P24046 1/20 0.36
BLM P54132 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RORC P51449 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
SCHEMBL11324577 0.90 LMNA (0.37) LMNATSHRCHRM3CHRM2CHRM4
SCHEMBL13041969 0.86 LMNA (0.50) LMNATSHRCHRM3TRPV1CHRM2
SCHEMBL11331535 0.86 TSHR (0.63) LMNATSHRTRPV1CES2GABRR1
SCHEMBL8280195 0.83 TSHR (0.69) LMNATSHRCHRM3TRPV1TP53
SCHEMBL1810087 0.83 TSHR (0.69) LMNATSHRCHRM3TRPV1TP53
SCHEMBL28996156 0.79 CHRM3 (0.40) LMNATSHRCHRM3CHRM2CHRM4
SCHEMBL9816400 0.79 LMNA (0.55) LMNATSHRPTPN1BRD4TP53
SCHEMBL13041392 0.79 CHRM3 (0.40) LMNATSHRCHRM3CHRM2CHRM4
SCHEMBL15482109 0.79 LMNA (0.55) LMNATSHRPTPN1BRD4TP53
SCHEMBL10684675 0.77 SMN1; SMN2 (0.39) LMNATSHRBRD4TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422612-B Synthetic method of aromatic hydrocarbon compound 中国科学院大连化学物理研究所 2021-08-10 CN disclosed
US-10913702-B2 Method for cycloaddition of dimethyl muconate SK CHEMICALS CO.. LTD. (KR) 2021-02-09 US disclosed
US-20200399201-A1 METHOD FOR CYCLOADDITION OF DIMETHYL MUCONATE SK CHEMICALS CO., LTD. (KR) 2020-12-24 US disclosed
CN-105384652-A Process for preparing 2, 5-di (substituted) arylamino terephthalic acid Lily group co ltd 2016-03-09 CN disclosed
US-9018408-B2 Processes for producing terephthalic acid and terephthalic esters DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-28 US disclosed
EP-2686293-A1 PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND TEREPHTHALIC ESTERS Dow Global Technologies LLC (US) 2014-01-22 EP disclosed
US-20130345467-A1 PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND TEREPHTHALIC ESTERS DOW GLOBAL TECHNOLOGIES LLC 2013-12-26 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148063-A2 CYCLOHEXENE 1,4-CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148049-A2 PREPARATION OF TRANS, TRANS MUCONIC ACID AND TRANS, TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148070-A2 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2010-12-23 WO disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-4255588-A Synthesis of cyclohexene dicarboxylic acid esters GULF OIL CORPORATION (US) 1981-03-10 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 (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-20200399201-A1 METHOD FOR CYCLOADDITION OF DIMETHYL MUCONATE MUC1, MPST, DIMT1 LMNA 4519/4885TSHR 1215/4885CHRM3 762/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 LMNA 2726/4885TSHR 762/4885CHRM3 1357/4885
US-10913702-B2 Method for cycloaddition of dimethyl muconate MUC1, MPST, DIMT1 LMNA 4519/4885TSHR 1215/4885CHRM3 762/4885
US-20130345467-A1 PROCESSES FOR PRODUCING TEREPHTHALIC ACID AND TEREPHTHALIC ESTERS DDT, HDHD5, MCCC2 LMNA 3104/4885TSHR 1817/4885CHRM3 3581/4885

“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.