SCHEMBL23871813

SCHEMBL23871813

COC(=O)/C=C/C(=O)Oc1ccc(-c2oc3cc(OC(=O)/C=C/C(=O)OC)cc(OC(=O)/C=C/C(=O)OC)c3c(=O)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.61
▸ KDM4E B2RXH2 4/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAOA P21397 2/20 0.51
▸ CYP1A1 P04798 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP1B1 Q16678 3/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ FTO Q9C0B1 1/20 0.50
▸ XDH P47989 2/20 0.47
▸ DPP4 P27487 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL22072021 0.93 ABCG2 (0.56) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL23871821 0.89 ADORA3 (0.57) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL23871902 0.81 KDM4E (0.53) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL22033960 0.79 ADORA3 (0.50) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL15456981 0.77 KDM4E (0.57) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL2629300 0.77 ABCG2 (1.00) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL22072726 0.76 ADORA3 (0.48) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL26145327 0.76 KDM4E (0.74) KDM4ECYP3A4MAPTTP53LMNA
SCHEMBL15266926 0.75 ADORA3 (0.79) ABCG2KDM4ECYP3A4MAPTTP53
SCHEMBL15965556 0.74 KDM4E (0.66) ABCG2KDM4ECYP3A4MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113490489-A Monomethyl fumarate-carrier conjugates and methods of use thereof 旗舰创业创新五公司 2021-10-08 — — CN disclosed
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2021-09-30 — — 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 (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-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 ABCG2 430/4885KDM4E 343/4885CYP3A4 504/4885

“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.

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