SCHEMBL25337239

SCHEMBL25337239

C=CCc1cc(-c2ccc(O)c(CC=C)c2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 12/20 0.74
GABRB2 P47870 12/20 0.74
ALOX5 P09917 2/20 0.60
CNR2 P34972 2/20 0.60
ACE2 Q9BYF1 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRA3 P34903 2/20 0.60
GABRA2 P47869 2/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
GABRB1 P18505 1/20 0.60
RXRA P19793 1/20 0.60
CNR1 P21554 1/20 0.60
KMT2A Q03164 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
AKR1B1 P15121 1/20 0.52
MGAM O43451 4/20 0.46
TNKS O95271 1/20 0.43

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
SCHEMBL30141409 1.00 GABRA1 (0.74) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL26608107 0.85 GABRA1 (0.61) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL29519288 0.82 TNKS (0.65) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL25337785 0.82 TNKS (0.65) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL25337687 0.81 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL29518989 0.81 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL25938135 0.79 GABRA1 (0.58) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL18313896 0.79 GABRA1 (0.64) GABRA1GABRB2ALOX5CNR2ACE2
SCHEMBL7699059 0.78 GABRA1 (0.55) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL25197310 0.78 GABRA1 (0.71) GABRA1GABRB2ALOX5CNR2ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212509-B1 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) 2024-11-27 EP disclosed
US-20230339840-A1 Preparation method for water-soluble magnolol derivatives and honokiol derivatives and intermediates thereof, and related monohydroxy protection intermediates BEIJING HONGHUI MEDITECH CO., LTD (CN) 2023-10-26 US disclosed
US-20230339840-A1 Preparation method for water-soluble magnolol derivatives and honokiol derivatives and intermediates thereof, and related monohydroxy protection intermediates BEIJING HONGHUI MEDITECH CO., LTD (CN) 2023-10-26 US disclosed
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
CN-112125805-B Water-soluble magnolol derivative, preparation method of honokiol derivative and intermediate thereof, and related monohydroxy protected intermediate 北京红惠新医药科技有限公司 2022-10-18 CN disclosed
WO-2022052683-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 北京红惠新医药科技有限公司 2022-03-17 WO disclosed
CN-112125805-A Water-soluble magnolol derivative, preparation method of honokiol derivative and intermediate thereof, and related monohydroxy protected intermediate 北京红惠新医药科技有限公司 2020-12-25 CN 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 (1 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-20230339840-A1 Preparation method for water-soluble magnolol derivatives and honokiol derivatives and intermediates thereof, and related monohydroxy protection intermediates MSMO1, HSD11B1, HMOX1 GABRA1 2200/4885GABRB2 1278/4885ALOX5 403/4885

“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.