SCHEMBL23871902

SCHEMBL23871902

COC(=O)/C=C/C(=O)Oc1cc(OC(=O)/C=C/C(=O)OC)c2c(=O)c(OC(=O)/C=C/C(=O)OC)c(-c3ccc(OC(=O)/C=C/C(=O)OC)c(OC(=O)/C=C/C(=O)OC)c3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ ABCG2 Q9UNQ0 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ABCB1 P08183 3/20 0.53
▸ ABCC1 P33527 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ADORA3 P0DMS8 4/20 0.53
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ F10 P00742 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX12 P18054 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
SCHEMBL22072726 0.94 ADORA3 (0.48) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL23871821 0.92 ADORA3 (0.57) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL22033960 0.91 ADORA3 (0.50) KDM4ECYP3A4ABCG2MEN1MAPK1
Pentaacetylquercetin SCHEMBL4064499 0.81 ADORA3 (0.77) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL23871813 0.81 ABCG2 (0.61) KDM4ECYP3A4ABCG2MEN1KMT2A
SCHEMBL24344965 0.79 KDM4E (0.50) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL23278846 0.79 ADORA3 (0.72) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL23483932 0.79 ADORA3 (0.69) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL20581904 0.79 ADORA3 (0.54) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL20581913 0.77 ADORA3 (0.53) KDM4ECYP3A4ABCG2MEN1MAPK1

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 KDM4E 343/4885CYP3A4 504/4885ABCG2 430/4885

“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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