SCHEMBL2968481

SCHEMBL2968481

COc1ccc2c(c1)OC(c1ccc(O)cc1)CC2

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.72
ESR2 Q92731 2/20 0.72
CYP19A1 P11511 4/20 0.58
ALDH1A1 P00352 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TAS2R31 P59538 1/20 0.52
FFAR1 O14842 7/20 0.48
CYP26A1 O43174 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOB P27338 1/20 0.47
PTPN1 P18031 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 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
SCHEMBL27975607 0.92 ESR2 (0.76) ESR1ESR2CYP19A1ALDH1A1ADORA3
SCHEMBL29366409 0.92 ESR2 (0.76) ESR1ESR2CYP19A1ALDH1A1ADORA3
SCHEMBL2964808 0.87 CYP19A1 (0.60) ESR1ESR2CYP19A1FFAR1ABCB11
SCHEMBL27221220 0.86 CYP19A1 (0.58) ESR1ESR2CYP19A1ALDH1A1FFAR1
SCHEMBL22882745 0.86 CYP19A1 (0.62) ESR1ESR2CYP19A1FFAR1MAOB
SCHEMBL2964362 0.85 CYP19A1 (0.61) ESR1ESR2CYP19A1ALDH1A1MAPT
(2S)-4'-Hydroxy-7,3'-Dimethoxyflavan SCHEMBL2960187 0.85 CYP19A1 (0.61) ESR1ESR2CYP19A1PTPN1CYP1A1
Tupichinol C SCHEMBL31060867 0.84 ESR2 (1.00) ESR1ESR2CYP19A1FFAR1PTPN1
Tupichinol C SCHEMBL30205825 0.84 ESR2 (1.00) ESR1ESR2CYP19A1FFAR1PTPN1
Tupichinol C SCHEMBL6822846 0.84 ESR2 (1.00) ESR1ESR2CYP19A1FFAR1PTPN1

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 16 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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO 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
EP-1493431-B1 Use of an extract of bauhinia for the preparation of pharmaceutical and cosmetic compositions MERCK PATENT GMBH (DE) 2009-09-30 EP disclosed
US-20080044502-A1 USE OF AN AQUEOUS OR HYDROALCOHOLIC EXTRACT OF BAUHINIA FOR THE PREPARATION OF A COMPOSITION WIRTH CORINNA 2008-02-21 US disclosed
US-20060188591-A1 Bauhinia extracts BUCHHOLZ HERWIG 2006-08-24 US disclosed
US-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
EP-1493431-A2 Use of an extract of bauhinia for the preparation of pharmaceutical and cosmetic compositions MERCK PATENT GmbH (DE) 2005-01-05 EP disclosed
US-20040170714-A1 Bauhinia extracts MERCK PATENT GMBH (DE) 2004-09-02 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 (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-20050019426-A1 For care, protection from aging of skin and hair, use in treatment of various skin disorders such as leukoplakia, eczema, keratosis, psoriasis, or to promote wound healing ITCH, CUTA, POLR1C ESR1 4248/4885ESR2 3519/4885CYP19A1 1092/4885
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION TAS2R50, TAS2R60, TAS2R30 ESR1 3623/4885ESR2 2632/4885CYP19A1 3419/4885
US-20080044502-A1 USE OF AN AQUEOUS OR HYDROALCOHOLIC EXTRACT OF BAUHINIA FOR THE PREPARATION OF A COMPOSITION BROX, HAAO, HIRA ESR1 4614/4885ESR2 4471/4885CYP19A1 159/4885

“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.