SCHEMBL21678779

SCHEMBL21678779

CC(C)Oc1ccccc1C(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.53
HCAR2 Q8TDS4 3/20 0.47
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
AKR1C3 P42330 1/20 0.39
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
AR P10275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21678774 0.84 SMN1; SMN2 (0.50) KDM4EHSD17B10MAPTHPGDALDH1A1
Fumaric Acid SCHEMBL28397774 0.83 IRAK4 (0.60) IRAK4HCAR2KDM4EHSD17B10MAPT
SCHEMBL27958806 0.83 IRAK4 (0.68) IRAK4KDM4EHSD17B10HPGDIDO1
SCHEMBL240024 0.82 HSD17B10 (0.65) HCAR2KDM4EHSD17B10MAPTHPGD
SCHEMBL33469 0.81 HCAR2 (0.50) HCAR2KDM4EHSD17B10MAPTHPGD
SCHEMBL21678701 0.80 HCRTR1 (0.49) HCAR2KDM4EHSD17B10MAPTHPGD
SCHEMBL4332049 0.80 IRAK4 (0.64) IRAK4KDM4EHSD17B10HPGDIDO1
SCHEMBL27568908 0.79 IRAK4 (0.58) IRAK4KDM4EHSD17B10MAPTIDO1
SCHEMBL21678752 0.78 KMT2A (0.47) HCAR2KDM4EHSD17B10MAPTHPGD
SCHEMBL28026162 0.77 IRAK4 (0.60) IRAK4KDM4EHSD17B10HPGDIDO1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866401-B2 Salicyl fumarate derivative and its application in the treatment of Parkinson's disease and other neurodegenerative diseases CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2024-01-09 US disclosed
US-20210179533-A1 SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2021-06-17 US disclosed
EP-3611157-A1 SALICYLIC ACID-BASED FUMARATE DERIVATIVE AND USE IN TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES Chongqing Neuropark Bioscience Co., Ltd. (CN) 2020-02-19 EP disclosed
US-20200048182-A1 A SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES CHONGQING NEUROPARK BIOSCIENCE CO., LTD. (CN) 2020-02-13 US disclosed
CN-106946701-A Salicylic acid-based fumarate derivative and application thereof in treating Parkinson's disease and other neurodegenerative diseases 杨立川 2017-07-14 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 (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-20210179533-A1 SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES FH, SUCNR1, SDHB IRAK4 482/4885HCAR2 61/4885KDM4E 2864/4885
US-20200048182-A1 A SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES FH, SUCNR1, SDHB IRAK4 448/4885HCAR2 75/4885KDM4E 2634/4885
US-11866401-B2 Salicyl fumarate derivative and its application in the treatment of Parkinson's disease and other neurodegenerative diseases FH, SUCNR1, SDHB IRAK4 532/4885HCAR2 88/4885KDM4E 2757/4885

“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.