Sugi Predict

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Yangonin

Yangonin

SCHEMBL5584097

COc1ccc(C=Cc2cc(OC)cc(=O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ HPGD P15428 3/20 1.00
▸ MAPT P10636 3/20 1.00
▸ TP53 P04637 2/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ CASP1 P29466 1/20 1.00
▸ CASP7 P55210 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ CYP3A4 P08684 1/20 0.82
▸ HIF1A Q16665 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.62
▸ ESR1 P03372 2/20 0.58
▸ AHR P35869 2/20 0.58
▸ CYP1A1 P04798 2/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ CYP1B1 Q16678 2/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ TTR P02766 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ ABCB1 P08183 1/20 0.58

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
Yangonin SCHEMBL1393965 1.00 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTP53SMN1; SMN2
Desmethoxyyangonin SCHEMBL236641 0.90 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTP53SMN1; SMN2
Desmethoxyyangonin SCHEMBL3630674 0.90 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL9016266 0.89 MAPT (0.80) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL9016268 0.89 MAPT (0.80) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL29584432 0.84 HIF1A (0.78) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL9016238 0.84 HIF1A (0.78) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL9016241 0.84 HIF1A (0.78) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL19665470 0.83 HIF1A (0.80) ALDH1A1HPGDMAPTTP53SMN1; SMN2
SCHEMBL19665468 0.83 HIF1A (0.80) ALDH1A1HPGDMAPTTP53SMN1; SMN2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188592-B2 2-pyrones MERCK PATENT GMBH (DE) 2019-01-29 — — US disclosed
EP-2648689-B1 2-PYRONES MERCK PATENT GMBH (DE) 2017-12-20 — — EP disclosed
US-20170014325-A1 2-PYRONES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-9499508-B2 2-pyrones MERCK PATENT GMBH (DE) 2016-11-22 — — US disclosed
EP-2648689-A2 2-PYRONES Merck Patent GmbH (DE) 2013-10-16 — — EP disclosed
US-20130261175-A1 2-PYRONES MERCK PATENT GMBH (DE) 2013-10-03 — — US disclosed
WO-2012076109-A2 2-PYRONES MERCK PATENT GMBH (DE) 2012-06-14 — — WO disclosed
US-7199152-B2 TNF-α production inhibitor comprising kavalactone as an active ingredient MEIJI DAIRIES CORPORATION (JP) 2007-04-03 — — US disclosed
US-20060121132-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient MEIJI DAIRIES CORPORATION (JP) 2006-06-08 — — US disclosed
EP-1222925-B1 Kavalactone as TNF-alpha production inhibitor MEIJI DAIRIES CORP (JP) 2005-02-23 — — EP disclosed
US-6608105-B2 For therapy and prophylaxis of diseases such as cachexia attributed to cancer or infections, rheumatoid arthritis, inflammatory diseases, osteoarthritis, systemic lupus erythematosus, rejection during bone marrow transplantation MEIJI DAIRIES CORPORATION (JP) 2003-08-19 — — US disclosed
US-20020173540-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient MEIJI DAIRIES CORPORATION (JP) 2002-11-21 — — US disclosed
EP-1222925-A2 Kavalactone as TNF-alpha production inhibitor Meiji Dairies Corporation (JP) 2002-07-17 — — EP disclosed
US-20020077351-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient MEIJI DAIRIES CORPORATION (JP) 2002-06-20 — — US disclosed
US-6288109-B1 Pyranones, method for the production and use thereof DR. WILLMAR SCHWABE GMBH & CO. (DE) 2001-09-11 — — US disclosed
EP-1032572-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF Dr. Willmar Schwabe GmbH & Co. (DE) 2000-09-06 — — EP disclosed
WO-1999025716-A9 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1999-09-02 — — WO disclosed
WO-1999025716-A2 PYRANONES, METHOD FOR THE PRODUCTION AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1999-05-27 — — 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 (6 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-20170014325-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 ALDH1A1 658/4885HPGD 298/4885MAPT 1543/4885
US-20130261175-A1 2-PYRONES PYCR1, CYP17A1, CYP11B2 ALDH1A1 658/4885HPGD 298/4885MAPT 1543/4885
US-20020077351-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient TNF, TNFRSF1A, TNFRSF9 ALDH1A1 2222/4885HPGD 1485/4885MAPT 3399/4885
US-10188592-B2 2-pyrones PYCR1, CYP17A1, CYP11B2 ALDH1A1 658/4885HPGD 298/4885MAPT 1543/4885
US-20020173540-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient TNF, TNFRSF1A, TNFRSF9 ALDH1A1 2222/4885HPGD 1485/4885MAPT 3399/4885
US-20060121132-A1 TNF-alpha production inhibitor comprising kavalactone as an active ingredient TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1958/4885HPGD 1710/4885MAPT 3391/4885

“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.