SCHEMBL16894615

SCHEMBL16894615

COc1cc(OC)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)CC2=O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
ABCG2 Q9UNQ0 2/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP3A4 P08684 1/20 0.73
HPGD P15428 1/20 0.73
MAPK1 P28482 1/20 0.73
HSD17B10 Q99714 1/20 0.73
TAS2R31 P59538 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
MAPT P10636 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP19A1 P11511 1/20 0.56
ROR1 Q01973 1/20 0.56

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
SCHEMBL31322130 1.00 ALDH1A1 (0.73) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL5857357 0.86 ALDH1A1 (0.76) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL18106040 0.86 ALDH1A1 (0.83) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL30319723 0.86 ALDH1A1 (0.83) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL4826267 0.86 ALDH1A1 (0.83) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL31452750 0.85 TAS2R31 (0.62) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL16894635 0.85 ALDH1A1 (0.63) ALDH1A1ABCG2KDM4ECYP3A4HPGD
Dimethylpinocembrin SCHEMBL2879027 0.85 ABCG2 (1.00) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL12067056 0.84 ALDH1A1 (0.80) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL12067071 0.83 ALDH1A1 (0.71) ALDH1A1ABCG2KDM4ECYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669003-B2 Use of flavone and flavanone derivatives in preparation of sedative and hypnotic drugs JIN YONGRI (CN) 2017-06-06 US claimed
US-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS JIN YONGRI (CN) 2015-07-16 US claimed
US-9669003-B2 Use of flavone and flavanone derivatives in preparation of sedative and hypnotic drugs JIN YONGRI (CN) 2017-06-06 US disclosed
CN-103705502-B Application of flavonoid compound in treating inflammatory diseases 江苏省中国科学院植物研究所 2017-05-24 CN disclosed
CN-103705502-B Application of flavonoid compound in treating inflammatory diseases 江苏省中国科学院植物研究所 2017-05-24 CN disclosed
US-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS JIN YONGRI (CN) 2015-07-16 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-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS CYP2D6, GATAD2A, CYP3A43 ALDH1A1 668/4885ABCG2 98/4885KDM4E 437/4885

“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.