SCHEMBL2956557

SCHEMBL2956557

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
PTPN1 P18031 2/20 0.48
POLB P06746 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
NR3C1 P04150 2/20 0.46
CA2 P00918 2/20 0.46
ABCB1 P08183 2/20 0.46
ALOX5 P09917 1/20 0.45

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
(2S)-3',4'-Dihydroxy-5,7-Dimethoxyflavan SCHEMBL2968482 0.93 CYP19A1 (0.52) CYP19A1CYP3A4MAPK1CYP1A1CYP1A2
SCHEMBL2970150 0.93 CYP19A1 (0.56) CYP19A1PTPN1POLBCYP1A1CYP1A2
SCHEMBL2964356 0.88 CYP19A1 (0.53) CYP19A1CYP3A4MAPK1ABCB1
SCHEMBL29066384 0.88 CYP19A1 (0.53) CYP19A1CYP3A4MAPK1ABCB1
SCHEMBL31053922 0.85 CYP19A1 (0.50) CYP19A1CYP3A4MAPK1PTPN1POLB
SCHEMBL16009834 0.84 CYP19A1 (0.44) CYP19A1CYP3A4MAPK1PTPN1POLB
SCHEMBL2960299 0.84 CYP1A1 (0.61) CYP19A1CYP3A4MAPK1PTPN1POLB
(2S)-4'-Hydroxy-7,3'-Dimethoxyflavan SCHEMBL2960187 0.83 CYP19A1 (0.61) CYP19A1PTPN1POLBCYP1A1CYP1A2
SCHEMBL2961584 0.82 CYP19A1 (0.54) CYP19A1CYP3A4MAPK1POLBCYP1A1
SCHEMBL31053988 0.82 CYP19A1 (0.54) CYP19A1CYP3A4MAPK1POLBCYP1A1

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 3419/4885CYP3A4 1777/4885MAPK1 1319/4885

“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.