SCHEMBL4570309

SCHEMBL4570309

O=C(CCCC(=O)OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.72
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.50
CYP19A1 P11511 2/20 0.47
EPHX1 P07099 2/20 0.47
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19150279 1.00 NAAA (0.72) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL1980866 0.98 NAAA (0.71) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL207867 0.95 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL17675641 0.95 NAAA (0.79) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL15987690 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL31069919 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL1681692 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL9488891 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL525240 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1
SCHEMBL9490272 0.93 NAAA (0.82) NAAACYP2C19SMN1; SMN2HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109709769-B Photoresist, pixilated photoluminescent color film containing photoresist and application of photoresist 深圳扑浪创新科技有限公司 2022-05-24 CN disclosed
CN-108993500-B Catalyst for synthesizing chiral cyclohexane dimethanol compounds, preparation method and application thereof 中国科学院兰州化学物理研究所苏州研究院 2021-06-15 CN disclosed
US-10550242-B2 Plasticiser composition containing aliphatic dicarboxylic acid esters and diesters selected from 1,2-cyclohexane dicarboxylic acid esters and terephthalic acid esters BASF SE (DE) 2020-02-04 US disclosed
EP-3405518-B1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2019-11-06 EP disclosed
EP-3405518-A1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2018-11-28 EP disclosed
US-9815766-B2 Process for double carbonylation of allyl ethers to corresponding diesters EVONIK DEGUSSA GMBH (DE) 2017-11-14 US disclosed
WO-2017125458-A1 PLASTICISER COMPOSITION CONTAINING ALIPHATIC DICARBOXYLIC ACID ESTERS AND DIESTERS SELECTED FROM 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID ESTERS BASF SE (DE) 2017-07-27 WO disclosed
US-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
EP-3181547-A1 METHOD FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS Evonik Degussa GmbH (DE) 2017-06-21 EP disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 US disclosed
US-9051116-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2015-06-09 US disclosed
US-20150045482-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties and Methods COCA COLA CO (US) 2015-02-12 US disclosed
US-20140212611-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2014-07-31 US disclosed
US-20140154446-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2014-06-05 US disclosed
US-20120121837-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2012-05-17 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
US-20100143546-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed
CN-100398306-C Biochemical degradable copolyester nonwoven fabric ASON ENGINEERING LTD (US) 2008-07-02 CN disclosed
CN-1478015-A Bio-degradable copolyester nonwoven fabric �������ɭ 2004-02-25 CN 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-20170174609-A1 PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ETHERS TO CORRESPONDING DIESTERS CBR3, CBR1, EPOR NAAA 3593/4885CYP2C19 2620/4885SMN1; SMN2 3227/4885

“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.