SCHEMBL2964356

SCHEMBL2964356

COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.53
TAS2R31 P59538 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL29066384 1.00 CYP19A1 (0.53) CYP19A1TAS2R31ALDH1A1ADORA3MAPT
(2S)-3',4'-Dihydroxy-5,7-Dimethoxyflavan SCHEMBL2968482 0.88 CYP19A1 (0.52) CYP19A1TAS2R31ALDH1A1ADORA3MAPT
SCHEMBL2956557 0.88 CYP19A1 (0.56) CYP19A1CYP3A4MAPK1ABCB1
SCHEMBL31005081 0.87 ABCG2 (0.58) CYP19A1ALDH1A1CYP3A4MAPK1ABCB1
SCHEMBL2970150 0.82 CYP19A1 (0.56) CYP19A1TAS2R31ALDH1A1ADORA3MAPT
SCHEMBL31053922 0.82 CYP19A1 (0.50) CYP19A1TAS2R31ALDH1A1ADORA3MAPT
SCHEMBL27573089 0.81 ABCG2 (0.46) CYP19A1ALDH1A1MAPTATMCYP3A4
SCHEMBL29934525 0.81 ABCG2 (0.46) CYP19A1ALDH1A1MAPTATMCYP3A4
SCHEMBL29066388 0.81 ABCG2 (0.59) CYP19A1TAS2R31ALDH1A1ADORA3MAPT
SCHEMBL9791622 0.81 ABCG2 (0.46) CYP19A1ALDH1A1MAPTATMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253226-B1 Use of hydroxyflavone derivatives for modifying taste LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2015-07-15 EP claimed
EP-2253226-A1 Use of hydroxyflavone derivatives for modifying taste Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2010-11-24 EP claimed
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 US claimed
EP-2253226-B1 Use of hydroxyflavone derivatives for modifying taste LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2015-07-15 EP disclosed
EP-2253226-A1 Use of hydroxyflavone derivatives for modifying taste Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2010-11-24 EP disclosed
EP-2253226-A1 Use of hydroxyflavone derivatives for modifying taste Leibniz-Institut für Pflanzenbiochemie (IPB) (DE) 2010-11-24 EP disclosed
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 US disclosed
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 US disclosed
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 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-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION TAS2R50, TAS2R60, TAS2R30 CYP19A1 3419/4885TAS2R31 17/4885ALDH1A1 450/4885

“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.