Sugi Predict

Sugi Predict / Compounds / SCHEMBL277670

SCHEMBL277670

SCHEMBL277670

Cc1ccccc1C(=O)OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA14 Q9ULX7 4/20 0.50
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ ADRB3 P13945 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL1786549 0.88 SMN1; SMN2 (0.52) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL137907 0.87 NPC1 (0.62) NPC1SMN1; SMN2KDM4ECA12CA1
SCHEMBL28020503 0.87 KDM4E (0.49) NPC1SMN1; SMN2KDM4ECA12CA1
SCHEMBL27681565 0.86 ADRB2 (0.51) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL6890551 0.85 SMN1; SMN2 (0.50) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL28281250 0.85 SMN1; SMN2 (0.50) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL31231255 0.85 SMN1; SMN2 (0.50) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL29290201 0.84 ADRB2 (0.49) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL27533098 0.84 SMN1; SMN2 (0.53) NPC1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL28020075 0.83 KDM4E (0.49) NPC1SMN1; SMN2KDM4EPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 — — CN disclosed
CN-105622423-B A kind of adduct of magnesium halides and its preparation method and application 中国石油化工股份有限公司 2019-06-28 — — CN disclosed
CN-105622793-B For the catalytic component and catalyst system of olefinic polymerization and its application and olefine polymerizing process 中国石油化工股份有限公司 2019-05-31 — — CN disclosed
CN-105541877-B Adduct of magnesium halides and application and the catalytic component for olefinic polymerization and catalyst system and application and olefine polymerizing process 中国石油化工股份有限公司 2019-03-22 — — CN disclosed
CN-105622644-B A kind of adduct of magnesium halides and its application 中国石油化工股份有限公司 2018-12-28 — — CN disclosed
CN-105622794-B For the catalytic component and catalyst system of olefinic polymerization and its application and olefine polymerizing process 中国石油化工股份有限公司 2018-07-20 — — CN disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 — — US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 — — US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 — — WO disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 — — WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 — — WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 — — WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 — — WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 — — WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 — — WO disclosed
CN-1004135-B Process for the polymerization of olefins 国际壳牌研究有限公司 1989-05-10 — — CN disclosed
CN-85101441-A The polymerization process of alkene — 1987-01-17 — — CN disclosed
US-4105693-A REACTING ALKYL 2-ALKYL BENZOATE WITH AN ANILINE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-08-08 — — 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 (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-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 NPC1 583/4885SMN1; SMN2 4298/4885KDM4E 1895/4885

“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.