SCHEMBL22033960

SCHEMBL22033960

[CH2]c1ccc(-c2oc3cc(OC(=O)/C=C/C(=O)OC)cc(OC(=O)/C=C/C(=O)OC)c3c(=O)c2OC(=O)/C=C/C(=O)OC)cc1OC(=O)/C=C/C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.50
▸ ABCG2 Q9UNQ0 5/20 0.47
▸ ABCB1 P08183 3/20 0.47
▸ ABCC1 P33527 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ F10 P00742 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL23871902 0.91 KDM4E (0.53) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL23871821 0.89 ADORA3 (0.57) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL22072726 0.86 ADORA3 (0.48) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL23871813 0.79 ABCG2 (0.61) ADORA3ABCG2ABCB1KDM4ECYP3A4
SCHEMBL22072021 0.74 ABCG2 (0.56) ADORA3ABCG2ABCB1KDM4ECYP3A4
Pentaacetylquercetin SCHEMBL4064499 0.73 ADORA3 (0.77) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL23278846 0.72 ADORA3 (0.72) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL24344965 0.71 KDM4E (0.50) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL20581904 0.70 ADORA3 (0.54) ADORA3ABCG2ABCB1ABCC1KDM4E
SCHEMBL23483932 0.70 ADORA3 (0.69) ADORA3ABCG2ABCB1ABCC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3890721-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE Flagship Pioneering Innovations V, Inc. (US) 2021-10-13 — — EP disclosed
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2021-09-30 — — US disclosed
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 — — 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-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 ADORA3 2536/4885ABCG2 430/4885ABCB1 1485/4885

“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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