SCHEMBL16894635

SCHEMBL16894635

COc1cc(OC)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)CC2=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.63
▸ CYP19A1 P11511 4/20 0.57
▸ ROR1 Q01973 1/20 0.48
▸ TAS2R31 P59538 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30989212 0.87 TAS2R31 (0.55) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL29286014 0.87 TAS2R31 (0.55) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL31322130 0.85 ALDH1A1 (0.73) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL16894615 0.85 ALDH1A1 (0.73) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL26679501 0.83 CYP19A1 (0.72) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL30000945 0.82 CYP19A1 (0.75) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL28252604 0.81 ALDH1A1 (0.76) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL16894642 0.81 CYP19A1 (0.54) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL4826267 0.79 ALDH1A1 (0.83) ALDH1A1KDM4ECYP3A4HPGDMAPK1
SCHEMBL18106040 0.79 ALDH1A1 (0.83) ALDH1A1KDM4ECYP3A4HPGDMAPK1

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 4 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
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 668/4885KDM4E 437/4885CYP3A4 15/4885

“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.

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