SCHEMBL2964362

SCHEMBL2964362

COc1ccc2c(c1)OC(c1ccc(OC)c(O)c1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.61
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
XDH P47989 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48
CA12 O43570 1/20 0.48
KDM1A O60341 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CA4 P22748 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
(2S)-4'-Hydroxy-7,3'-Dimethoxyflavan SCHEMBL2960187 0.90 CYP19A1 (0.61) CYP19A1ESR1ESR2CYP1A1CYP1A2
SCHEMBL2964808 0.90 CYP19A1 (0.60) CYP19A1ESR1ESR2FFAR1
SCHEMBL1245170 0.89 ESR2 (0.67) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL30233728 0.89 ESR2 (0.67) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL1487483 0.89 ESR2 (0.67) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL2958816 0.89 ESR2 (0.67) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL30475350 0.89 ESR2 (0.67) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL31527713 0.85 CYP19A1 (0.53) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL27182775 0.85 CYP19A1 (0.53) CYP19A1ESR1ESR2TP53CYP3A4
SCHEMBL2968481 0.85 ESR1 (0.72) CYP19A1ESR1ESR2CYP3A4MAPT

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 10 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-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 3419/4885ESR1 3623/4885ESR2 2632/4885

“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.