SCHEMBL4649968

SCHEMBL4649968

COc1ccc(-c2oc3cc(OC)cc(O)c3c(=O)c2OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.88
CYP2D6 P10635 2/20 0.88
PLG P00747 1/20 0.81
NOX4 Q9NPH5 1/20 0.81
ABCG2 Q9UNQ0 4/20 0.78
ABCB1 P08183 4/20 0.78
ABCC1 P33527 2/20 0.78
MAPT P10636 4/20 0.75
TUBB4A P04350 2/20 0.75
TUBB P07437 2/20 0.75
TUBA3C P0DPH7 2/20 0.75
TUBA1B P68363 2/20 0.75
TUBA4A P68366 2/20 0.75
TUBB4B P68371 2/20 0.75
TUBB3 Q13509 2/20 0.75
TUBB2A Q13885 2/20 0.75
TUBB8 Q3ZCM7 2/20 0.75
TUBA3E Q6PEY2 2/20 0.75
TUBA1A Q71U36 2/20 0.75
TUBA1C Q9BQE3 2/20 0.75

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
SCHEMBL30131217 1.00 CYP3A4 (0.88) CYP3A4CYP2D6PLGNOX4ABCG2
Kumatakenin SCHEMBL29681818 0.95 KDM4E (0.83) CYP3A4CYP2D6PLGNOX4ABCG2
Kumatakenin SCHEMBL3351483 0.95 KDM4E (0.83) CYP3A4CYP2D6PLGNOX4ABCG2
Ermanin SCHEMBL2875089 0.94 CYP3A4 (1.00) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL11096763 0.91 ABCG2 (0.77) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL18130384 0.91 ABCB1 (0.83) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL828941 0.90 PLG (1.00) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL20100899 0.90 CYP3A4 (0.80) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL29825010 0.90 PLG (1.00) CYP3A4CYP2D6PLGNOX4ABCG2
SCHEMBL748643 0.88 MAOA (0.90) CYP3A4CYP2D6PLGNOX4ABCG2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106455665-B Black ginger oil extract and preparation method thereof 三得利控股株式会社 2020-06-30 CN claimed
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE SUNTORY HOLDINGS LIMITED (JP) 2017-03-16 US claimed
US-20170065509-A1 FAT OR OIL EXTRACT OF BLACK GINGER AND METHOD FOR PRODUCING SAME SUNTORY HOLDINGS LIMITED (JP) 2017-03-09 US claimed
CN-106455665-A Fat or oil extract of black ginger and method for producing same 三得利控股株式会社 2017-02-22 CN claimed
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US claimed
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
WO-1990006104-A1 USE OF KAEMPFEROL AND CERTAIN DERIVATIVES THEREOF FOR THE PREPARATION OF A COSMETIC OR PHARMACEUTICAL COMPOSITION LVMH RECHERCHE (FR) 1990-06-14 WO claimed
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US claimed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP claimed
JP-2024028657-A INTESTINAL TRACT BARRIER IMPROVER 株式会社 資生堂 2024-03-04 JP disclosed
EP-3917554-B1 METHOD FOR OBTAINING AN EXTRACT OF PATCHOULI LEAVES AND COSMETIC USES THEREOF ISP INVESTMENTS LLC (US) 2023-07-19 EP disclosed
CN-114891131-B Extraction and purification process of vermicelli sedge polysaccharide 贵州中医药大学 2023-04-21 CN disclosed
CN-115475157-A Intestinal barrier improving agent 株式会社资生堂 2022-12-16 CN disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed
WO-1990006104-A1 USE OF KAEMPFEROL AND CERTAIN DERIVATIVES THEREOF FOR THE PREPARATION OF A COSMETIC OR PHARMACEUTICAL COMPOSITION LVMH RECHERCHE (FR) 1990-06-14 WO disclosed
EP-0019081-B1 FLAVONE DERIVATIVES, THEIR PREPARATION, THESE NOVEL AND KNOWN FLAVONES AS ANTIVIRAL AGENTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-24 EP disclosed
US-4352792-A 3-Alkoxyflavone antiviral agents HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
EP-0019081-A1 Flavone derivatives, their preparation, these novel and known flavones as antiviral agents, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP 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 (2 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-20170065509-A1 FAT OR OIL EXTRACT OF BLACK GINGER AND METHOD FOR PRODUCING SAME FABP4, PLIN5, FABP6 CYP3A4 184/4885CYP2D6 1611/4885PLG 3618/4885
US-20170071902-A1 NOX INHIBITOR AND NFkB INHIBITOR CONTAINING METHOXYFLAVONE NOX1, NFKBIA, NOX5 CYP3A4 1665/4885CYP2D6 2065/4885PLG 3775/4885

“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.