Bergamottin

Bergamottin

SCHEMBL7183139

CC(C)=CCCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 1.00
▸ TDP1 Q9NUW8 5/20 1.00
▸ BACE1 P56817 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ HPGD P15428 3/20 1.00
▸ MAPT P10636 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ CYP2E1 P05181 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ CYP2B6 P20813 1/20 1.00
▸ CYP3A5 P20815 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ LMNA P02545 1/20 0.81
▸ ACHE P22303 1/20 0.81

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
Bergamottin SCHEMBL14029418 1.00 CYP3A4 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
Bergamottin SCHEMBL29556462 1.00 CYP3A4 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
Bergamottin SCHEMBL569529 1.00 CYP3A4 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
Isoimperatorin SCHEMBL15090959 0.90 ALDH1A1 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
Notopterol SCHEMBL28964767 0.85 BACE1 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
Notopterol SCHEMBL30888273 0.85 BACE1 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E
6',7'-Epoxybergamottin SCHEMBL28859461 0.84 CYP3A4 (0.74) CYP3A4TDP1BACE1ALDH1A1KDM4E
SCHEMBL30375774 0.84 CYP3A4 (0.72) CYP3A4TDP1BACE1ALDH1A1KDM4E
6',7'-Epoxybergamottin SCHEMBL29419949 0.84 CYP3A4 (0.74) CYP3A4TDP1BACE1ALDH1A1KDM4E
Dihydroxybergamottin SCHEMBL30173389 0.82 CYP3A4 (1.00) CYP3A4TDP1BACE1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737898-A2 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE EMP Biotech GmbH (DE) 2026-05-06 — — EP disclosed
US-20260042797-A1 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE EMP BIOTECH GMBH (DE) 2026-02-12 — — US disclosed
US-12344633-B2 Separation and isolation of nucleic acids using affinity ligands bound to a solid surface EMP BIOTECH GMBH (DE) 2025-07-01 — — US disclosed
CN-115969891-B Fructus cnidii total extract and application and map construction method thereof 杨利平 2025-01-21 — — CN disclosed
US-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2024-11-28 — — US disclosed
US-20240325479-A1 Total extract of Fructus Cnidii and its application and map construction method YANG LIPING (CN) 2024-10-03 — — US disclosed
CN-117233298-A Metabolic-chemistry-based exocarpium citri rubrum year identification method 中国检验检疫科学研究院 2023-12-15 — — CN disclosed
EP-4186367-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS Institut national de recherche pour l'agriculture, l'alimentation et l'environnement (INRAE) (FR) 2023-05-31 — — EP disclosed
CN-115969891-A Fructus cnidii total extract and application and map construction method thereof 杨利平 2023-04-18 — — CN disclosed
CN-115671096-A Application of 6-methoxy angelicin and structural analogue thereof 西北工业大学 2023-02-03 — — CN disclosed
WO-2021105887-A1 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE EMP BIOTECH GMBH (DE) 2021-06-03 — — WO disclosed
US-20210155657-A1 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE EMP BIOTECH GMBH (DE) 2021-05-27 — — US disclosed
CN-107383040-B A method of isolating and purifying bergamot element from early fragrant shaddock oil vacuole layer 浙江大学 2019-06-07 — — CN disclosed
EP-1007034-B1 COMPOSITIONS CONTAINING BERGAMOTTIN FOR INCREASING THE ORAL BIOAVAILABILITY OF PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2003-11-05 — — EP disclosed
US-6509371-B1 Compositions containing Bergamottin for increasing the oral bioavailability of pharmaceutical agents WARNER-LAMBERT COMPANY 2003-01-21 — — 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 (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-20210155657-A1 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE ADAR, SSBP1, POLRMT CYP3A4 4878/4885TDP1 560/4885BACE1 4814/4885
US-12344633-B2 Separation and isolation of nucleic acids using affinity ligands bound to a solid surface ADAR, SSBP1, POLRMT CYP3A4 4878/4885TDP1 560/4885BACE1 4814/4885
US-20260042797-A1 SEPARATION AND ISOLATION OF NUCLEIC ACIDS USING AFFINITY LIGANDS BOUND TO A SOLID SURFACE POLM, SSBP1, POLRMT CYP3A4 3699/4885TDP1 537/4885BACE1 4817/4885
US-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS XBP1, ERN1, ERN2 CYP3A4 2585/4885TDP1 1759/4885BACE1 809/4885

“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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