SCHEMBL4129038

SCHEMBL4129038

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R31 P59538 2/20 0.57
CYP19A1 P11511 3/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
XDH P47989 2/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.55
CA12 O43570 1/20 0.55
KDM1A O60341 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL14421486 0.93 TAS2R31 (0.57) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL16894619 0.90 CYP19A1 (0.50) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL30873340 0.90 CYP19A1 (0.50) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL31065850 0.90 CYP19A1 (0.50) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL15462191 0.89 CYP19A1 (0.54) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL19736058 0.88 ODC1 (0.49) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL12878874 0.85 CYP19A1 (0.65) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL30912310 0.84 ABCG2 (0.58) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL16894644 0.84 ABCG2 (0.58) TAS2R31CYP19A1TP53CYP3A4XDH
SCHEMBL16894655 0.84 CYP1A1 (0.60) TAS2R31CYP19A1CYP3A4CYP1A1CYP1A2

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 13 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-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions WLLGEN, INC. (US) 2014-02-06 US claimed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 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
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions WLLGEN, INC. (US) 2014-02-06 US disclosed
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions WLLGEN, INC. (US) 2014-02-06 US disclosed
EP-2010194-A2 HYDROXYLATED POLYMETHOXYFLAVONE COMPOSITIONS Rutgers, The State University of New Jersey (US) 2009-01-07 EP disclosed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 US disclosed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 US disclosed
US-20070275106-A1 Hydroxylated polymethoxyflavone compositions WELLGEN, INC. 2007-11-29 US disclosed
WO-2007109071-A2 HYDROXYLATED POLYMETHOXYFLAVONE COMPOSITIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-09-27 WO 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 (3 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-20070275106-A1 Hydroxylated polymethoxyflavone compositions PLIN5, FANCF, COXFA4 TAS2R31 3899/4885CYP19A1 11/4885TP53 984/4885
US-20150196529-A1 USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS CYP2D6, GATAD2A, CYP3A43 TAS2R31 1825/4885CYP19A1 1387/4885TP53 4877/4885
US-20140039044-A1 Hydroxylated Polymethoxyflavone Compositions PLIN5, FANCF, COXFA4 TAS2R31 3899/4885CYP19A1 11/4885TP53 984/4885

“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.