SCHEMBL21678752

SCHEMBL21678752

CCCOc1ccccc1C(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HIF1A Q16665 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 8/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL21678783 0.93 LMNA (0.50) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL21678701 0.89 HCRTR1 (0.49) KMT2AMEN1LMNAMAPTHCAR2
Fumaric Acid SCHEMBL28890188 0.84 ALDH1A1 (0.61) KMT2AMEN1HIF1ALMNAMAPT
SCHEMBL3977783 0.83 KMT2A (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL21678774 0.81 SMN1; SMN2 (0.50) KMT2ALMNAMAPTSLC6A3KDM4E
SCHEMBL28882640 0.81 ADRB2 (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL1009321 0.81 ADRB2 (0.53) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL240024 0.80 HSD17B10 (0.65) KMT2ALMNAMAPTSLC6A3HCAR2
SCHEMBL28213609 0.80 ADRB2 (0.52) KMT2AMEN1HIF1AADRB2ADRB1
SCHEMBL33469 0.79 HCAR2 (0.50) MAPTCYP3A4HDAC6HCAR2KDM4E

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 4 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

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 KMT2A 1676/4885MEN1 2344/4885HIF1A 668/4885
US-20200048182-A1 A SALICYL FUMARATE DERIVATIVE AND ITS APPLICATION IN THE TREATMENT OF PARKINSON'S DISEASE AND OTHER NEURODEGENERATIVE DISEASES FH, SUCNR1, SDHB KMT2A 1472/4885MEN1 2310/4885HIF1A 754/4885
US-11866401-B2 Salicyl fumarate derivative and its application in the treatment of Parkinson's disease and other neurodegenerative diseases FH, SUCNR1, SDHB KMT2A 1659/4885MEN1 2136/4885HIF1A 817/4885

“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.