SCHEMBL4603941

SCHEMBL4603941

C=C(C)C(=O)C(CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
TDP1 Q9NUW8 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
FFAR3 O14843 1/20 0.30

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
SCHEMBL1578723 0.85 TDP1 (0.33) TDP1TSHRALDH1A1THRB
SCHEMBL7542166 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL2344897 0.79
SCHEMBL5753839 0.79 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9015316 0.78 TDP1 (0.38) TGFBR1TDP1ADRA1ATSHR
SCHEMBL27653781 0.78 TDP1 (0.40) TGFBR1TDP1TSHRTET2TET3
SCHEMBL5830000 0.78 CA2 (0.47) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2408287 0.76
SCHEMBL3504770 0.76 CHRM1 (0.38) TDP1CHRM1AKR1A1CHRM3HTR2A
Ethylmalonate SCHEMBL28635933 0.75 HDAC1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate ALMIRALL, S.A. (ES) 2023-03-14 US disclosed
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate ALMIRALL, S.A. (ES) 2021-10-28 US disclosed
EP-3079666-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL SA (ES) 2021-02-03 EP disclosed
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate ALMIRALL, S.A. (ES) 2020-06-25 US disclosed
EP-3656379-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall S.A. (ES) 2020-05-27 EP disclosed
EP-3641736-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall, S.A. (ES) 2020-04-29 EP disclosed
WO-2018234584-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL, S.A. (ES) 2018-12-27 WO disclosed
US-20160310457-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL, S.A. (ES) 2016-10-27 US disclosed
EP-3079666-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE Almirall S.A. (ES) 2016-10-19 EP disclosed
WO-2015086467-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed
US-20080299196-A1 Controlled Release Pharmaceutical Compositions Comprising a Fumaric Acid Ester ADITECH PHARMA AB (SE) 2008-12-04 US disclosed
US-20080300217-A1 Combination Therapy with Fumaric Acid Esters for the Treatment of Autoimmune and/or Inflammatory Disorders ADITECH PHARMA AB (SE) 2008-12-04 US disclosed
EP-1951206-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER Aditech Pharma AB (SE) 2008-08-06 EP disclosed
EP-1940382-A2 COMBINATION THERAPY WITH FUMARIC ACID ESTERS FOR THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS Aditech Pharma AB (SE) 2008-07-09 EP disclosed
WO-2007042035-A2 COMBINATION THERAPY WITH FUMARIC ACID ESTERS FOR THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS ADITECH PHARMA AB (SE) 2007-04-19 WO disclosed
WO-2007042034-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER ADITECH PHARMA AB (SE) 2007-04-19 WO disclosed
EP-0666498-A2 Silver halide photographic material Agfa-Gevaert AG (DE) 1995-08-09 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 (5 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-11602515-B2 Pharmaceutical compositions comprising dimethyl fumarate MGAM, SI, FH TGFBR1 4080/4885TDP1 4197/4885CHRM1 2091/4885
US-20080300217-A1 Combination Therapy with Fumaric Acid Esters for the Treatment of Autoimmune and/or Inflammatory Disorders FAH, FH, SLC16A1 TGFBR1 2143/4885TDP1 3765/4885CHRM1 4718/4885
US-20160310457-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DIMETHYL FUMARATE MGAM, SI, FH TGFBR1 4141/4885TDP1 4282/4885CHRM1 2112/4885
US-20210330628-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH TGFBR1 4151/4885TDP1 4258/4885CHRM1 2062/4885
US-20200197348-A1 Pharmaceutical Compositions Comprising Dimethyl Fumarate MGAM, SI, FH TGFBR1 4080/4885TDP1 4197/4885CHRM1 2091/4885

“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.