SCHEMBL23871821

SCHEMBL23871821

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)c2OC(=O)/C=C/C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.57
▸ SLC22A2 O15244 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ ABCG2 Q9UNQ0 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ABCB1 P08183 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ABCC1 P33527 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ PKM P14618 1/20 0.44

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 0.92 KDM4E (0.53) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL23871813 0.89 ABCG2 (0.61) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL22033960 0.89 ADORA3 (0.50) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL22072726 0.86 ADORA3 (0.48) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL22072021 0.83 ABCG2 (0.56) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
Kaempferol Tetraacetate SCHEMBL10379364 0.81 ADORA3 (0.84) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL22076468 0.78 ADORA3 (0.59) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL22076398 0.76 ADORA3 (0.57) ADORA3SLC22A2SLC22A1ABCG2CYP3A4
SCHEMBL26145327 0.76 KDM4E (0.74) CYP3A4KDM4EABCB1ALDH1A1MEN1
SCHEMBL1664667 0.73 ADORA3 (1.00) ADORA3SLC22A2SLC22A1CYP3A4KDM4E

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 ADORA3 2536/4885SLC22A2 161/4885SLC22A1 171/4885

“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.

Send feedback