SCHEMBL4934756

SCHEMBL4934756

CCCOC(=O)/C=C/C(=O)OCCC.[SrH2]

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.78
ATM Q13315 1/20 0.70
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APP P05067 3/20 0.49
ALOX5 P09917 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL448456 0.97 HCAR2 (0.82) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL448454 0.97 HCAR2 (0.82) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL322228 0.97 HCAR2 (0.82) HCAR2ATMMAPTRAB9ANPSR1
Hydrochloric Acid SCHEMBL28061109 0.95 HCAR2 (0.78) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL5285060 0.90 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
Diethyl Maleate SCHEMBL9642988 0.90 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL5287207 0.90 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
Ethylene Glycol SCHEMBL28539292 0.90 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL5285059 0.90 HCAR2 (0.72) HCAR2ATMMAPTRAB9ANPSR1
Propyl Fumarate SCHEMBL322230 0.88 HCAR2 (1.00) HCAR2ATMMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004344-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-01-03 US claimed
EP-1812374-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2007-08-01 EP claimed
WO-2006050730-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2006-05-18 WO claimed
US-20080004344-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-01-03 US disclosed
EP-1812374-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE Aditech Pharma AB (SE) 2007-08-01 EP disclosed
WO-2006050730-A1 NOVEL SALTS OF FUMARIC ACID MONOALKYLESTERS AND THEIR PHARMACEUTICAL USE ADITECH PHARMA AB (SE) 2006-05-18 WO 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-20080004344-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, FH, SLC16A7 HCAR2 33/4885ATM 4178/4885MAPT 1423/4885

“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.