SCHEMBL29957628

SCHEMBL29957628

CC(C)=CCC1C(=O)C(CC=C(C)C)(CC=C(C)C)C(O)C(C(=O)C(C)C)C1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PTGES O14684 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DLAT P10515 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL16269968 0.64 ALOX5 (0.41) ACHEALOX5PTGESNR1I2CYP3A4
SCHEMBL30211331 0.63 ALOX5 (0.43) ACHEALOX5PTGESNR1I2CYP3A4
SCHEMBL29957759 0.60 KDM4E (0.32) ALOX5PTGESNR1I2CYP3A4DLAT
SCHEMBL13649117 0.58 ALOX5 (0.55) ACHEALOX5PTGESNR1I2CYP3A4
SCHEMBL13629032 0.58 ALOX5 (0.41) ACHEALOX5PTGESNR1I2CYP3A4
SCHEMBL823105 0.57 ALOX5 (0.40) ACHEALOX5
SCHEMBL7896034 0.57 KDM4E (0.35) ALOX5PTGESNR1I2CYP3A4DLAT
SCHEMBL30834770 0.56 LMNA (0.33) CYP3A4SMN1; SMN2
SCHEMBL13649105 0.56 SLC25A5 (0.35) ACHEALOX5PTGESNR1I2CYP3A4
SCHEMBL2442779 0.56 ALOX5 (0.38) ACHEALOX5PTGESNR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346552-A1 PRECURSOR COMPOUND OF HEXAHYDRO-BETA-ACID COMPONENT COMPOUND, FEED COMPOSITION AND USE THEREOF WISORIG TECHNOLOGIES PTE. LIMITED (SG) 2025-11-13 — — US disclosed
US-12133541-B2 Feed composition comprising hexahydro-β-acid component compounds and application thereof WISORIG TECHNOLOGIES PTE. LIMITED (SG) 2024-11-05 — — US disclosed
US-20220232856-A1 FEED COMPOSITION COMPRISING HEXAHYDRO-beta-ACID COMPONENT COMPOUNDS AND APPLICATION THEREOF WISORIG TECHNOLOGIES PTE. LIMITED (SG) 2022-07-28 — — 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 (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-20250346552-A1 PRECURSOR COMPOUND OF HEXAHYDRO-BETA-ACID COMPONENT COMPOUND, FEED COMPOSITION AND USE THEREOF HCAR3, FFAR3, HCAR2 ACHE 2512/4885ALOX5 389/4885PTGES 2738/4885

“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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