SCHEMBL2007120

SCHEMBL2007120

O=C(c1cc(O)c(O)c(O)c1)C(O)[C@H]1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.65
P4HB P07237 4/20 0.63
ACHE P22303 1/20 0.63
CA12 O43570 1/20 0.63
CA2 P00918 1/20 0.63
AKR1B1 P15121 1/20 0.63
CA4 P22748 1/20 0.63
CA7 P43166 1/20 0.63
RPS6KA3 P51812 5/20 0.62
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
EPHX2 P34913 3/20 0.60
POLB P06746 3/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SLCO2B1 O94956 1/20 0.60
MPI P34949 1/20 0.60

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
SCHEMBL2510457 0.88 NQO2 (0.72) NQO2P4HBACHECA12CA2
SCHEMBL180904 0.85 KDM4E (0.69) P4HBACHECA12CA2AKR1B1
SCHEMBL1278982 0.84 CYP3A4 (0.69) NQO2P4HBACHECA12CA2
SCHEMBL1287866 0.84 CYP3A4 (0.69) NQO2P4HBACHECA12CA2
SCHEMBL9992609 0.84 CYP3A4 (0.69) NQO2P4HBACHECA12CA2
SCHEMBL18670353 0.84 CYP3A4 (0.69) NQO2P4HBACHECA12CA2
SCHEMBL7601750 0.81 KDM4E (0.73) P4HBACHECA12CA2AKR1B1
SCHEMBL6903921 0.81 NQO2 (0.70) NQO2P4HBACHECA12CA2
SCHEMBL17938818 0.81 KDM4E (0.73) P4HBACHECA12CA2AKR1B1
SCHEMBL2510346 0.81 KDM4E (0.73) P4HBACHECA12CA2AKR1B1

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-7960430-B2 Flavonoid complexes with cyclodextrins MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
EP-1718658-B1 FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINS MERCK PATENT GMBH (DE) 2010-04-28 EP disclosed
US-20080199414-A1 COSMETIC FORMULATION COMPRISING FLAVONOID DERIVATIVES WIRTH CORINNA 2008-08-21 US disclosed
EP-1847182-A2 Foodstuffs or dietary supplements containing flavonoid derivates MERCK PATENT GmbH (DE) 2007-10-24 EP disclosed
US-20070155695-A1 Flavonoid complexes with cyclodextrins EUROPEAN BRAND PARTICIPATIONS SA (LU) 2007-07-05 US disclosed
EP-1718658-A1 FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINS MERCK PATENT GmbH (DE) 2006-11-08 EP disclosed
EP-1393733-B1 Use of flavonoid-derivatives for the treatment of atopic eczema MERCK PATENT GMBH (DE) 2006-08-23 EP disclosed
WO-2005068484-A1 FLAVONOID COMPLEXES COMPRISING CYCLODEXTRINS MERCK PATENT GMBH (DE) 2005-07-28 WO disclosed
US-20040081675-A1 Cosmetic formulations containing flavonoid derivatives MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
US-20040053860-A1 Flavonoid derivatives for the treatment of eczema MERCK PATENT GMBH (DE) 2004-03-18 US disclosed
EP-1393733-A1 Flavonoid-derivate for the treatment of eczema MERCK PATENT GmbH (DE) 2004-03-03 EP disclosed
EP-1363594-A1 COSMETIC FORMULATIONS CONTAINING FLAVONOID DERIVATIVES MERCK PATENT GmbH (DE) 2003-11-26 EP disclosed
WO-2002069926-A1 COSMETIC FORMULATIONS CONTAINING FLAVONOID DERIVATIVES MERCK PATENT GMBH (DE) 2002-09-12 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 (4 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-20070155695-A1 Flavonoid complexes with cyclodextrins TYR, DPM1, CYP2F1 NQO2 1189/4885P4HB 903/4885ACHE 2924/4885
US-20040081675-A1 Cosmetic formulations containing flavonoid derivatives TYR, MITF, TEAD3 NQO2 219/4885P4HB 3576/4885ACHE 1172/4885
US-20040053860-A1 Flavonoid derivatives for the treatment of eczema TSLP, CYP51A1, TYR NQO2 96/4885P4HB 2498/4885ACHE 838/4885
US-20080199414-A1 COSMETIC FORMULATION COMPRISING FLAVONOID DERIVATIVES TYR, MITF, TEAD3 NQO2 251/4885P4HB 3165/4885ACHE 842/4885

“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.