Sugi Predict

Sugi Predict / Compounds / SCHEMBL5873561

SCHEMBL5873561

SCHEMBL5873561

CCOC(=O)C(C)=CCP(=O)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.40
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL8576108 1.00 GLO1 (0.40) GLO1CYP2D6CYP2C19TSHRPPARD
SCHEMBL9653714 1.00 GLO1 (0.40) GLO1CYP2D6CYP2C19TSHRPPARD
SCHEMBL28361944 0.86 TSHR (0.39) CYP2D6CYP2C19TSHRPPARDALDH1A1
SCHEMBL8578383 0.86 CYP2D6 (0.42) GLO1CYP2D6CYP2C19TSHRNPSR1
SCHEMBL38654747 0.84 NPSR1 (0.39) GLO1CYP2D6CYP2C19TSHRNPSR1
SCHEMBL28556442 0.83 CYP2D6 (0.40) GLO1CYP2D6CYP2C19TSHRNPSR1
SCHEMBL28547746 0.83 GLO1 (0.38) GLO1CYP2D6CYP2C19TSHRNPSR1
SCHEMBL10959518 0.81 GLO1 (0.42) GLO1CYP2D6CYP2C19TSHRNPSR1
SCHEMBL28358348 0.81 TSHR (0.41) TSHRPPARDMAPTMAPK1
SCHEMBL8734587 0.81 TSHR (0.41) TSHRPPARDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754805-A Preparation method of crocetin 八叶草健康产业研究院(厦门)有限公司 2024-10-11 — — CN claimed
CN-118754805-A Preparation method of crocetin 八叶草健康产业研究院(厦门)有限公司 2024-10-11 — — CN disclosed
CN-118754805-A Preparation method of crocetin 八叶草健康产业研究院(厦门)有限公司 2024-10-11 — — CN disclosed
CN-116120218-B Beta-apo-8’Process for preparing ethyl carotenoate 万华化学集团股份有限公司 2024-05-03 — — CN disclosed
CN-115433225-B Preparation method of 4- (diethylxyphosphoryl) -2-methyl-2-ethyl butenoate 万华化学集团股份有限公司 2024-04-09 — — CN disclosed
CN-117756688-A Preparation and purification method of apoester 万华化学集团股份有限公司 2024-03-26 — — CN disclosed
CN-116120218-A Beta-apo-8 ’ Process for preparing ethyl carotenoate 万华化学集团股份有限公司 2023-05-16 — — CN disclosed
CN-113527359-B Method for preparing apoester intermediate C5 phosphate by one-pot method 万华化学集团股份有限公司 2023-03-17 — — CN disclosed
CN-115433225-A Preparation method of 4- (diethoxyphosphoryl) -2-methyl-2-ethyl crotonate 万华化学集团股份有限公司 2022-12-06 — — CN disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 — — US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 — — US disclosed
US-7045641-B2 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2006-05-16 — — US disclosed
US-20030158427-A1 Process for preparing polyenedialdehyde monoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 — — US disclosed
EP-1325919-A1 Process for the preparation of polyendialdehydemonoacetals BASF AKTIENGESELLSCHAFT (DE) 2003-07-09 — — EP disclosed
US-5773635-A ALDOL CONDENSATION; IN PRESENCE OF OXYGEN OR NITRIC OXIDE BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
EP-0691329-B1 Process for the preparation of polyencarbonyl compounds with high content of the all E-isomer and their acetals or ketales BASF AG (DE) 1997-10-29 — — EP disclosed
EP-0691329-A1 Process for the preparation of polyencarbonyl compounds with high content of the all E-isomer and their acetals or ketales BASF AKTIENGESELLSCHAFT (DE) 1996-01-10 — — EP disclosed
EP-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 — — EP disclosed
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 — — US disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 — — EP 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 (3 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-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 GLO1 1697/4885CYP2D6 3000/4885CYP2C19 2574/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 GLO1 1746/4885CYP2D6 2953/4885CYP2C19 2442/4885
US-20030158427-A1 Process for preparing polyenedialdehyde monoacetals PDHA2, AKR1C4, SRD5A2 GLO1 437/4885CYP2D6 22/4885CYP2C19 178/4885

“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.