SCHEMBL20153052

SCHEMBL20153052

C=CCc1ccc(O)c(-c2cc(CC)ccc2O)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.82
GABRB2 P47870 9/20 0.82
CNR2 P34972 5/20 0.82
CNR1 P21554 4/20 0.82
ALDH1A1 P00352 3/20 0.82
MEN1 O00255 2/20 0.82
GAA P10253 2/20 0.82
MAPT P10636 2/20 0.82
KMT2A Q03164 2/20 0.82
PPARG P37231 2/20 0.82
PPARD Q03181 2/20 0.82
KDM4E B2RXH2 1/20 0.82
ALDH2 P05091 1/20 0.82
AKR1B1 P15121 1/20 0.82
HPGD P15428 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
TNKS O95271 1/20 0.68
PARP1 P09874 1/20 0.68
XDH P47989 1/20 0.61
ALOX5 P09917 6/20 0.59

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
Magnolol SCHEMBL23119980 0.91 GABRA1 (0.85) GABRA1GABRB2CNR2CNR1ALDH1A1
Magnolol SCHEMBL29538482 0.91 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1ALDH1A1
Magnolol SCHEMBL132477 0.91 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1ALDH1A1
Magnolol SCHEMBL29649179 0.91 GABRA1 (1.00) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL22215973 0.88 GABRA1 (0.89) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL10454553 0.87 GABRA1 (0.62) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL7747447 0.86 GABRA1 (0.77) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL29763176 0.84 TRPA1 (0.70) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL8047684 0.84 TRPA1 (0.70) GABRA1GABRB2CNR2CNR1ALDH1A1
SCHEMBL14368297 0.84 GABRA1 (0.79) GABRA1GABRB2CNR2CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212509-A1 METHOD FOR PREPARING WATER-SOLUBLE MAGNOLOL DERIVATIVE AND HONOKIOL DERIVATIVE, METHODS FOR PREPARING INTERMEDIATES OF WATER-SOLUBLE MAGNOLOL DERIVATIVE AND HONOKIOL DERIVATIVE, AND RELATED MONOHYDROXY PROTECTED INTERMEDIATE Beijing Honghui Meditech Co., Ltd (CN) 2023-07-19 EP disclosed
US-20220211727-A1 Mito-Magnolol Compounds and Methods of Synthesis and Use Thereof AIX-MARSEILLE UNIVERSITE (FR) 2022-07-07 US disclosed
US-11083739-B2 Mito-magnolol compounds and methods of synthesis and use thereof THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2021-08-10 US disclosed
US-10836782-B2 Mito-honokiol compounds and methods of synthesis and use thereof THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2020-11-17 US disclosed
US-20200222433-A1 MITO-MAGNOLOL COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2020-07-16 US disclosed
US-20180134737-A1 MITO-HONOKIOL COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. 2018-05-17 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 (5 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-20220211727-A1 Mito-Magnolol Compounds and Methods of Synthesis and Use Thereof CYP11B1, MFN2, CYP11B2 GABRA1 2692/4885GABRB2 1803/4885CNR2 2796/4885
US-20180134737-A1 MITO-HONOKIOL COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF MFN2, MT-ND2, PCK2 GABRA1 4171/4885GABRB2 3927/4885CNR2 2830/4885
US-20200222433-A1 MITO-MAGNOLOL COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF CYP11B1, MFN2, CYP11B2 GABRA1 2692/4885GABRB2 1803/4885CNR2 2796/4885
US-11083739-B2 Mito-magnolol compounds and methods of synthesis and use thereof CYP11B1, MFN2, CYP11B2 GABRA1 2692/4885GABRB2 1803/4885CNR2 2796/4885
US-10836782-B2 Mito-honokiol compounds and methods of synthesis and use thereof MFN2, MT-ND2, PCK2 GABRA1 4171/4885GABRB2 3927/4885CNR2 2830/4885

“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.