SCHEMBL16894644

SCHEMBL16894644

COc1ccc(C2CC(=O)c3c(OC)cc(OC)c(OC)c3O2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.58
ABCB1 P08183 1/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
PABPC1 P11940 1/20 0.57
APEX1 P27695 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 1/20 0.57
EIF4H Q15056 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TAS2R31 P59538 2/20 0.52
CYP19A1 P11511 3/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 2/20 0.49
XDH P47989 2/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 2/20 0.49

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
SCHEMBL30912310 1.00 ABCG2 (0.58) ABCG2ABCB1POLBMAPTMEN1
SCHEMBL16894619 0.89 CYP19A1 (0.50) ABCG2ABCB1POLBMAPTMEN1
SCHEMBL30873340 0.89 CYP19A1 (0.50) ABCG2ABCB1POLBMAPTMEN1
SCHEMBL31065850 0.89 CYP19A1 (0.50) ABCG2ABCB1POLBMAPTMEN1
SCHEMBL28879338 0.86 ABCG2 (0.77) ABCG2ABCB1POLBMAPTMEN1
SCHEMBL14421486 0.84 TAS2R31 (0.57) ABCG2POLBMAPTMEN1GAA
SCHEMBL4129038 0.84 TAS2R31 (0.57) ABCG2POLBMAPTMEN1GAA
SCHEMBL2124058 0.83 CYP19A1 (0.68) ABCG2POLBMAPTMEN1GAA
SCHEMBL30865912 0.82 TAS2R31 (0.64) ABCG2ABCB1POLBMAPTTAS2R31
SCHEMBL28589889 0.82 TAS2R31 (0.64) ABCG2ABCB1POLBMAPTTAS2R31

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118121649-A Citrus extract, compound, and use thereof for inhibiting novel coronaviruses 丰苗生物科技股份有限公司 2024-06-04 CN claimed
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
CN-118121649-A Citrus extract, compound, and use thereof for inhibiting novel coronaviruses 丰苗生物科技股份有限公司 2024-06-04 CN disclosed
CN-118121589-A Compounds and their use for inhibiting novel coronaviruses 丰苗生物科技股份有限公司 2024-06-04 CN disclosed
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 ABCG2 98/4885ABCB1 218/4885POLB 3986/4885

“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.