Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117339

SCHEMBL2117339

SCHEMBL2117339

CCCOC(=O)c1cccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ CDC25B P30305 2/20 0.63
▸ HRH3 Q9Y5N1 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.58
▸ TSHR P16473 3/20 0.57
▸ CNR1 P21554 2/20 0.57
▸ CNR2 P34972 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CDC25A P30304 1/20 0.55
▸ CDC25C P30307 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MAOB P27338 1/20 0.54

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
SCHEMBL29649093 0.90 TSHR (0.73) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL6904320 0.90 TSHR (0.73) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL27547778 0.90 ALDH1A1 (0.58) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL786986 0.90 CDC25B (0.61) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL2117237 0.89 TSHR (0.73) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL2361969 0.88 ALDH1A1 (0.55) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL9288049 0.88 ALDH1A1 (0.74) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL4407176 0.88 ALDH1A1 (0.74) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL20100237 0.88 ALDH1A1 (0.74) ALDH1A1CDC25BHRH3KDM4ETSHR
SCHEMBL30295637 0.88 ALDH1A1 (0.74) ALDH1A1CDC25BHRH3KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478845-B For the catalytic component of olefinic polymerization, catalyst and preparation method thereof 中国石油化工股份有限公司 2019-08-20 — — CN claimed
CN-106543306-A For the catalytic component of olefinic polymerization, catalyst and preparation method thereof 中国石油化工股份有限公司 2017-03-29 — — CN claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 — — EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 — — WO claimed
EP-3661900-B1 IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS EASTMAN CHEM CO (US) 2023-11-01 — — EP disclosed
CN-116675601-A Polycyclic aromatic hydrocarbon carboxylic acid derivative and application thereof in perovskite-based solar cell 西湖大学 2023-09-01 — — CN disclosed
WO-2021226009-A1 SYNTHESIS OF VINYL CYCLOBUTYL INTERMEDIATES AMGEN INC. (US) 2021-11-11 — — WO disclosed
CN-106543306-B For the catalytic component of olefinic polymerization, catalyst and preparation method thereof 中国石油化工股份有限公司 2019-06-28 — — CN disclosed
CN-109563009-A Alkene oligomerization process 公共型股份公司希布尔控股 2019-04-02 — — CN disclosed
CN-108251128-A A kind of liquid-crystal compounds with negative dielectric anisotropic and its preparation method and application 烟台显华化工科技有限公司 2018-07-06 — — CN disclosed
CN-104054146-B Capacitor biaxial stretch-formed polypropylene film 王子控股株式会社 2017-06-23 — — CN disclosed
EP-0870804-A1 Olefin (co)polymer composition CHISSO CORPORATION (JP) 1998-10-14 — — EP disclosed
EP-0864589-A2 MOLDED RESIN ARTICLES CHISSO CORPORATION (JP) 1998-09-16 — — EP disclosed
CN-1191547-A Olefin (co) polymer composition and method for producing same, and catalyst for olefin (co) polymerization and method for producing same CHISSO CORP (JP) 1998-08-26 — — CN disclosed
EP-0856526-A1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 1998-08-05 — — EP disclosed
CN-1185757-A Oxidation catalyst system and oxidation process using the same DAICEL CHEM (JP) 1998-06-24 — — CN disclosed
CN-1010782-B SOLID CATALYST COMPONENT FOR ALPHA-OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 1990-12-12 — — CN disclosed
CN-86108794-A The ingredient of solid catalyst and the manufacture method thereof that are used for α ＇-olefinic polymerization CHISSO CORP (JP) 1987-07-29 — — 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885CDC25B 2208/4885HRH3 1123/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885CDC25B 2208/4885HRH3 1123/4885

“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.