SCHEMBL20100901

SCHEMBL20100901

COc1ccc(-c2oc3cc(C)cc(OC)c3c(=O)c2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.81
SLC22A2 O15244 1/20 0.81
SLC22A1 O15245 1/20 0.81
ABCG2 Q9UNQ0 11/20 0.66
ABCB1 P08183 6/20 0.66
ABCC1 P33527 3/20 0.66
CYP3A4 P08684 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
XDH P47989 1/20 0.62
TUBA1B P68363 1/20 0.62

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
Tetramethylkaempferol SCHEMBL1664159 0.90 ADORA3 (1.00) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL20100896 0.87 ABCG2 (0.77) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL20100899 0.86 CYP3A4 (0.80) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL4277299 0.84 ADORA3 (0.76) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL29598018 0.81 TUBB4A (0.76) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL5073336 0.81 ABCG2 (0.84) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL15635199 0.81 ADORA3 (0.83) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL1683355 0.81 TUBB4A (0.76) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL14401128 0.81 ADORA3 (0.54) ADORA3SLC22A2SLC22A1ABCG2ABCB1
SCHEMBL1664287 0.81 ADORA3 (1.00) ADORA3SLC22A2SLC22A1ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117000-A1 ENERGY METABOLIC ACTIVATING AGENT FOR MUSCLE CELLS ORYZA OIL & FAT CHEMICAL CO., LTD. (JP) 2018-05-03 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-20180117000-A1 ENERGY METABOLIC ACTIVATING AGENT FOR MUSCLE CELLS SLC2A1, SLC2A2, SLC2A4 ADORA3 1129/4885SLC22A2 115/4885SLC22A1 101/4885

“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.