Maackiain

Maackiain

SCHEMBL12810278

Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 1.00
▸ MAOB P27338 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ MAPT P10636 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ PTPN1 P18031 3/20 0.55
▸ MGAM O43451 1/20 0.49
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42

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
Maackiain SCHEMBL28064249 1.00 MAOA (1.00) MAOAMAOBCYP3A4MAPTMAPK1
Maackiain SCHEMBL29670858 1.00 MAOA (1.00) MAOAMAOBCYP3A4MAPTMAPK1
Demethylmedicarpin SCHEMBL29843376 0.88 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
Medicarpin SCHEMBL2812444 0.88 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
Demethylmedicarpin SCHEMBL31663447 0.88 MAOA (0.78) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL8223903 0.83 MAOA (0.71) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL12891393 0.83 MAOA (0.71) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL12810804 0.83 MAOA (0.71) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL232991 0.81 CYP3A4 (0.68) MAOAMAOBCYP3A4MAPTMAPK1
SCHEMBL19999737 0.81 MAOA (0.67) MAOAMAOBCYP3A4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-8633203-B2 Use of pterocarpans as active anti-cellulite ingredients SYMRISE AG (DE) 2014-01-21 — — US disclosed
US-8633203-B2 Use of pterocarpans as active anti-cellulite ingredients SYMRISE AG (DE) 2014-01-21 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — US disclosed
EP-2295031-A2 Use of pterocarpans as anti-cellulite agents Symrise AG (DE) 2011-03-16 — — EP disclosed
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE GMBH & CO., KG (DE) 2011-02-10 — — US disclosed
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE GMBH & CO., KG (DE) 2011-02-10 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-02 — — US disclosed
US-20090208432-A1 AH Receptor Antagonists SYMRISE GMBH & CO., KG (DE) 2009-08-20 — — US disclosed
US-20090208432-A1 AH Receptor Antagonists SYMRISE GMBH & CO., KG (DE) 2009-08-20 — — US disclosed
WO-2007128725-A1 6H-BENZOFURO[3,2-C] [1]BENZOPYRAN AND [2] BENZOPYRANO [4,3-B] [1]BENZOPYRAN DERIVATIVES AND WOOD EXTRACTS OF THESE COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) ANTAGONISTS FOR THE PREVENTION OF UV-B INDUCED SKIN DAMAGE SYMRISE GMBH & CO. KG (DE) 2007-11-15 — — 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-20090208432-A1 AH Receptor Antagonists AHR, ARNT, HCAR1 MAOA 464/4885MAOB 544/4885CYP3A4 337/4885
US-20100305068-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 MAOA 4177/4885MAOB 3928/4885CYP3A4 4800/4885
US-20110034486-A1 USE OF PTEROCARPANS AS ACTIVE ANTI-CELLULITE INGREDIENTS FABP4, PLIN1, CPT1B MAOA 2275/4885MAOB 1827/4885CYP3A4 1262/4885
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N MAOA 2039/4885MAOB 2318/4885CYP3A4 2576/4885

“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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