SCHEMBL20100896

SCHEMBL20100896

COc1ccc(-c2oc3cc(C)cc(OC)c3c(=O)c2OC)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.77
ABCB1 P08183 4/20 0.77
KDM4E B2RXH2 4/20 0.77
CYP3A4 P08684 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
ABCC1 P33527 2/20 0.77
ALDH1A1 P00352 2/20 0.77
MAPK1 P28482 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
TUBB4A P04350 3/20 0.67
TUBB P07437 3/20 0.67
TUBA3C P0DPH7 3/20 0.67
TUBA1B P68363 3/20 0.67
TUBA4A P68366 3/20 0.67
TUBB4B P68371 3/20 0.67
TUBB3 Q13509 3/20 0.67
TUBB2A Q13885 3/20 0.67
TUBB8 Q3ZCM7 3/20 0.67
TUBA3E Q6PEY2 3/20 0.67

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
SCHEMBL20100900 0.89 ABCG2 (0.79) ABCG2ABCB1KDM4ECYP3A4MEN1
Pentamethylquercetin SCHEMBL30168919 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4MEN1
Pentamethylquercetin SCHEMBL29725289 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4MEN1
Pentamethylquercetin SCHEMBL30168918 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4MEN1
Pentamethylquercetin SCHEMBL2286327 0.87 ABCG2 (1.00) ABCG2ABCB1KDM4ECYP3A4MEN1
SCHEMBL20100901 0.87 ADORA3 (0.81) ABCG2ABCB1KDM4ECYP3A4MEN1
Hexamethoxyflavone SCHEMBL987569 0.84 MEN1 (0.74) ABCG2ABCB1KDM4ECYP3A4MEN1
Hexamethoxyflavone SCHEMBL30232628 0.84 MEN1 (0.74) ABCG2ABCB1KDM4ECYP3A4MEN1
SCHEMBL19347141 0.84 ABCG2 (0.72) ABCG2ABCB1KDM4ECYP3A4MEN1
SCHEMBL4395270 0.83 ABCG2 (0.71) ABCG2ABCB1KDM4ECYP3A4MEN1

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 ABCG2 1507/4885ABCB1 981/4885KDM4E 2288/4885

“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.