SCHEMBL29906138

SCHEMBL29906138

C/C(=C\Cc1c(O)ccc2c1OCC1c3cc4c(cc3OC21)OCO4)CO

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.69
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HSD17B1 P14061 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL29929364 1.00 PTPN1 (0.69) PTPN1MAOAMAOBCYP3A4MAPT
Erybreadin C SCHEMBL31237899 0.82 PTPN1 (1.00) PTPN1MAOAMAOBHSD17B1HSP90AA1
SCHEMBL29572116 0.81 PTPN1 (0.88) PTPN1HSD17B1HSP90AA1
Erybraedin A SCHEMBL29572007 0.75 PTPN1 (0.76) PTPN1HSD17B1HSP90AA1
Licoagrocarpin SCHEMBL30999862 0.75 PTPN1 (0.78) PTPN1MAOAMAOBMAPTMAPK1
Licoagrocarpin SCHEMBL30999863 0.75 PTPN1 (0.78) PTPN1MAOAMAOBMAPTMAPK1
SCHEMBL14812146 0.72 PTPN1 (0.66) PTPN1MAOAMAOBCYP3A4MAPT
SCHEMBL14812147 0.72 PTPN1 (0.66) PTPN1MAOAMAOBCYP3A4MAPT
SCHEMBL31238358 0.70 MAOA (1.00) PTPN1MAOAMAOBCYP3A4MAPT
Erybraedin C SCHEMBL29572548 0.69 PTPN1 (0.77) PTPN1HSD17B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 — — US claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US claimed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 — — WO claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 — — WO claimed
US-20260048025-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES NATURAL EXTRACTION SYS LLC (US) 2026-02-19 — — US disclosed
US-12409152-B2 Compositions and methods related to dissolved oxides Natural Extraction Systems, LLC (US) 2025-09-09 — — US disclosed
US-20250161394-A1 Compositions Comprising Kavalactones NATURAL EXTRACTION SYS LLC (US) 2025-05-22 — — US disclosed
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 — — US disclosed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 — — US disclosed
US-20220362169-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES Natural Extraction Systems, LLC 2022-11-17 — — US disclosed
WO-2022182523-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2022-09-01 — — WO disclosed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 — — 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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB PTPN1 4752/4885MAOA 3718/4885MAOB 3174/4885
US-12409152-B2 Compositions and methods related to dissolved oxides PRKG2, PRKG1, CIT PTPN1 4397/4885MAOA 1580/4885MAOB 1677/4885
US-20260048025-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES SCO2, CNR2, CNR1 PTPN1 3800/4885MAOA 1589/4885MAOB 1712/4885
US-20220362169-A1 COMPOSITIONS AND METHODS RELATED TO DISSOLVED OXIDES PRKG2, PRKG1, CIT PTPN1 4397/4885MAOA 1580/4885MAOB 1677/4885

“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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