SCHEMBL109451

SCHEMBL109451

CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
ELANE P08246 2/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
STAT3 P40763 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CA7 P43166 1/20 0.44
SLC7A5 Q01650 1/20 0.44
MAPK1 P28482 1/20 0.42

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
Hydrazine SCHEMBL10771056 0.95 CA12 (0.62) CA1CA2CA12CA9CA14
SCHEMBL6350965 0.93 CA12 (0.71) CA1CA2CA12CA9CA14
SCHEMBL4532351 0.93 ELANE (0.60) CA1CA2CA12CA9CA14
SCHEMBL7346788 0.91 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL318720 0.91 TDP1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL527251 0.91 CA1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL4517212 0.91 CA12 (0.54) CA1CA2CA12CA9CA14
SCHEMBL38810 0.91 CA12 (0.59) CA1CA2CA12CA9CA14
SCHEMBL25246490 0.89 CA12 (0.53) CA1CA2CA12CA9CA14
SCHEMBL2219894 0.89 CA1 (0.53) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026058-B Process for preparing novel polycondensation pre-polyesters, other polyester precursors and copolyesters 伊士曼化工公司 2024-08-20 CN claimed
EP-3990519-A1 PROCESS FOR MAKING NOVEL POLYCONDENSATION PRE-POLYESTERS, OTHER POLYESTER PRECURSORS AND COPOLYESTERS Eastman Chemical Company (US) 2022-05-04 EP claimed
CN-112675916-A Application of metal organic framework material as catalyst in preparation of plasticizer 同济大学 2021-04-20 CN claimed
WO-2021057074-A1 NOVEL HIGH-TEMPERATURE-RESISTANT HIGH-STRENGTH HIGH-LIGHT-TRANSMITTANCE CYCLOOLEFIN COPOLYMER AND PREPARATION METHOD THEREFOR 广东聚航新材料研究院有限公司 2021-04-01 WO claimed
CN-110850544-B Flat indoor and outdoor optical cable and manufacturing method thereof 四川天邑康和通信股份有限公司 2020-11-27 CN claimed
CN-109776772-B Polyester, preparation method and thermoplastic vulcanized rubber 北京化工大学 2020-05-19 CN claimed
CN-110850544-A Flat indoor and outdoor optical cable and manufacturing method thereof 四川天邑康和通信股份有限公司 2020-02-28 CN claimed
CN-110667194-A Temperature-resistant anti-freezing PP pipe and preparation process thereof 镇江荣诚管业有限公司 2020-01-10 CN claimed
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
US-20120302722-A1 COPOLYETHER ESTER ELASTOMER INVISTA NORTH AMERICA S.A.R.L (US) 2012-11-29 US claimed
US-20120071598-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US claimed
US-8084534-B2 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-12-27 US claimed
WO-2011071558-A1 COPOLYETHER ESTER ELASTOMER INVISTA TECHNOLOGIES S.A R.L. (CH) 2011-06-16 WO claimed
US-20110040001-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2011-02-17 US claimed
US-7875742-B2 hydrogenating organic compounds by contacting with hydrogen-containing gas in presence of catalyst which comprises catalytically active metals applied to porous catalyst support; catalytically active metals having been derived via decomposed amine complex of metal on support EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-25 US claimed
US-20100184895-A1 Hydrogenation Processes EXXONMOBOIL RESEARCH AND ENGINEERING COMPANY 2010-07-22 US claimed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US claimed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP claimed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO claimed

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-20100184895-A1 Hydrogenation Processes HAO2, HVCN1, AOC3 CA1 502/4885CA2 1336/4885CA12 1004/4885

“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.