SCHEMBL20100898

SCHEMBL20100898

COc1cc(C)cc2oc(-c3ccccc3)cc(=O)c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.78
ALDH1A1 P00352 5/20 0.78
ABCG2 Q9UNQ0 4/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
NPC1 O15118 2/20 0.78
RAB9A P51151 1/20 0.78
CYP3A4 P08684 5/20 0.72
TP53 P04637 4/20 0.72
HSD17B10 Q99714 4/20 0.72
MAPT P10636 3/20 0.72
HPGD P15428 2/20 0.72
AR P10275 2/20 0.72
ABCB1 P08183 6/20 0.70
SMN1; SMN2 Q16637 1/20 0.65
CYP2C19 P33261 4/20 0.60
CYP2C9 P11712 3/20 0.60
TSHR P16473 1/20 0.60
ADORA3 P0DMS8 1/20 0.57
SLCO2B1 O94956 1/20 0.57

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
SCHEMBL20100895 0.88 ABCB1 (0.82) KDM4EALDH1A1ABCG2MEN1KMT2A
Chrysin Dimethyl Ether SCHEMBL1676012 0.87 ABCG2 (1.00) KDM4EALDH1A1ABCG2MEN1KMT2A
Chrysin Dimethyl Ether SCHEMBL29403280 0.87 ABCG2 (1.00) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL19129538 0.86 ABCB1 (0.64) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL19129475 0.86 KDM4E (0.72) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL19235588 0.85 ALDH1A1 (0.76) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL1629391 0.84 ALDH1A1 (1.00) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL28568538 0.82 CYP3A4 (0.72) KDM4EALDH1A1ABCG2MEN1KMT2A
Baicalein Trimethyl Ether SCHEMBL971297 0.82 ABCB1 (0.80) KDM4EALDH1A1ABCG2MEN1KMT2A
SCHEMBL15745640 0.82 KDM4E (0.70) KDM4EALDH1A1ABCG2MEN1KMT2A

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 KDM4E 2288/4885ALDH1A1 617/4885ABCG2 1507/4885

“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.