Irigenol

Irigenol

SCHEMBL2465996

O=c1c(-c2cc(O)c(O)c(O)c2)coc2cc(O)c(O)c(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ HPGD P15428 4/20 1.00
▸ ALOX15 P16050 4/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ APEX1 P27695 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ PTPRS Q13332 1/20 1.00
▸ RGS17 Q9UGC6 1/20 1.00
▸ MAPK8 P45983 1/20 0.55
▸ PTPN1 P18031 3/20 0.55
▸ EGFR P00533 3/20 0.53
▸ ABCB1 P08183 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL17885706 0.90 ALDH1A1 (0.81) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL16432690 0.88 ALOX15 (0.78) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL737653 0.86 ALDH1A1 (0.75) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL13279932 0.86 MAPT (0.75) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL30525493 0.86 MAPT (0.75) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3385694 0.82 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL28740045 0.81 PTPN1 (0.70) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL29931737 0.80 ABCB1 (0.75) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL27757185 0.76 CYP3A4 (0.70) MAPTMEN1KMT2AALDH1A1CYP3A4
Irigenin SCHEMBL30335091 0.75 EGFR (0.72) MAPTMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264616-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 — — US claimed
EP-2367522-A2 METHOD AND COMPOSITION FOR SKIN COLOR MODULATION Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2011-09-28 — — EP claimed
WO-2010072805-A2 METHOD AND COMPOSITION FOR COLOR MODULATION UNILEVER PLC (GB) 2010-07-01 — — WO claimed
US-20100158829-A1 Method and Composition for Color Modulation CONOPCO, INC., D/B/A UNILEVER (US) 2010-06-24 — — US claimed
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 — — US disclosed
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 — — US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — US disclosed
US-20160264616-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 — — US disclosed
US-20160264616-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 — — US disclosed
US-20160264616-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-15 — — US disclosed
US-20160185843-A1 TREATING ALCOHOL-MEDIATED DISORDERS BY INHIBITION OF RGS6 UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-06-30 — — US disclosed
CN-105101964-A Use of selective opioid receptor antagonists and specific sensory ligands BIGLIARDI PAUL 2015-11-25 — — CN disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 — — US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 — — US disclosed
EP-2367522-A2 METHOD AND COMPOSITION FOR SKIN COLOR MODULATION Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2011-09-28 — — EP disclosed
WO-2010072805-A2 METHOD AND COMPOSITION FOR COLOR MODULATION UNILEVER PLC (GB) 2010-07-01 — — WO disclosed
US-20100158829-A1 Method and Composition for Color Modulation CONOPCO, INC., D/B/A UNILEVER (US) 2010-06-24 — — US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 — — 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 (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-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 MAPT 3350/4885MEN1 1398/4885KMT2A 3410/4885
US-20100158829-A1 Method and Composition for Color Modulation TYR, TH, COMT MAPT 24/4885MEN1 3892/4885KMT2A 1409/4885
US-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD MAPT 2722/4885MEN1 2328/4885KMT2A 1415/4885
US-20160185843-A1 TREATING ALCOHOL-MEDIATED DISORDERS BY INHIBITION OF RGS6 RGS4, RGS16, ADH1A MAPT 2896/4885MEN1 3926/4885KMT2A 766/4885
US-20160264616-A1 THERAPEUTIC COMPOUNDS AND METHODS RGS17, RGS16, RGS4 MAPT 4175/4885MEN1 3073/4885KMT2A 2710/4885
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C MAPT 4286/4885MEN1 3296/4885KMT2A 28/4885

“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.

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