Bergaptol

Bergaptol

SCHEMBL194016

O=c1ccc2c(O)c3ccoc3cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
CYP3A4 P08684 3/20 1.00
CYP2A6 P11509 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MAPT P10636 1/20 1.00
HPGD P15428 1/20 1.00
KDM4E B2RXH2 5/20 0.64
CYP1B1 Q16678 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
MAOA P21397 2/20 0.64
CYP2C19 P33261 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KCNA2 P16389 2/20 0.64
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
PGR P06401 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
TSHR P16473 1/20 0.64
ACHE P22303 2/20 0.55

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
Bergaptol SCHEMBL31097369 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL4421214 0.82 CYP3A4 (0.68) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL6802035 0.82 ALDH1A1 (0.70) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL22361197 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
Bergapten SCHEMBL50066 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
Bergapten SCHEMBL4731782 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
Bergapten SCHEMBL29529284 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL20036256 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL19346062 0.78 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT
SCHEMBL6991733 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2A6L3MBTL1MAPT

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 354 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134655-A1 CITRUS PLANTS WITH MODIFIED PRODUCTION OF COUMARINS AND FURANOCOUMARINS METHODS OF PRODUCING SAME AND PRODUCTS OBTAINED THEREBY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI INSTITUTE) (IL) 2024-06-27 WO claimed
EP-3223796-B1 PHARMACEUTICAL COMPOSITIONS, PREPARATION AND USES THEREOF CURADIGM SAS (FR) 2021-07-21 EP claimed
CN-102234578-A Preparation method of fingered citron-osmanthus essence DEBIN XU 2011-11-09 CN claimed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 US claimed
CN-101851557-A Preparation method for fingered citron osmanthus fragrance DEBIN XU 2010-10-06 CN claimed
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2009-07-02 US claimed
US-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2009-06-18 US claimed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 US claimed
CN-101384241-A Vitamin C transporter production promoter FANCL CORP (JP) 2009-03-11 CN claimed
EP-1951260-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM Bezwada Biomedical LLC (US) 2008-08-06 EP claimed
WO-2007053794-A2 FUNCTIONALIZED PHENOLIC COMPOUNDS AND ABSORBABLE THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-05-10 WO claimed
US-7098244-B2 Antibacterial agent TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-08-29 US claimed
WO-2004037827-A1 SYNTHESIS OF SPIRO ORTHO ESTERS, SPIRO ORTHO CARBONATES, AND INTERMEDIATES BIOAVAILABILITY SYSTEMS, LLC (US) 2004-05-06 WO claimed
US-20040002611-A1 Synthesis of spiro esters, spiro ortho carbonates, and intermediates BIOAVAILABILITY SYSTEMS, LLC (US) 2004-01-01 US claimed
US-6613918-B1 Reacting an ester or carbonate with a tri C1-20 alkyl oxonium hexafluorophosphate; Bergaptols BIOAVAILABILITY SYSTEMS, LLC 2003-09-02 US claimed
WO-2026104851-A1 PHARMACEUTICAL COMPOSITIONS Apollo AP10 Limited (GB) 2026-05-21 WO disclosed
US-20260060966-A1 METHOD OF PREVENTING OR TREATING HEART FAILURE IN A PATIENT USING (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXAMIDE BAYER AG (DE) 2026-03-05 US disclosed
US-4429138-A MULTISTEP, FROM PHLOROGLUCINOL GOUPIL JEAN JACQUES (FR) 1984-01-31 US disclosed
US-4217445-A SKIN DISORDERS FOTOBIO HOLDING AG (CH) 1980-08-12 US disclosed
US-4217445-A SKIN DISORDERS FOTOBIO HOLDING AG (CH) 1980-08-12 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-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 ALDH1A1 1662/4885CYP3A4 2364/4885CYP2A6 2163/4885
US-20260060966-A1 METHOD OF PREVENTING OR TREATING HEART FAILURE IN A PATIENT USING (4S)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXAMIDE ALB, REN, TTR ALDH1A1 732/4885CYP3A4 924/4885CYP2A6 1435/4885
US-20090170927-A1 FUNCTIONALIZED PHENOLIC COMPOUNDS AND POLYMERS THEREFROM COMT, AOX1, UGT1A6 ALDH1A1 384/4885CYP3A4 345/4885CYP2A6 132/4885
US-20040002611-A1 Synthesis of spiro esters, spiro ortho carbonates, and intermediates SYMPK, OXSR1, OSBP ALDH1A1 3184/4885CYP3A4 170/4885CYP2A6 741/4885
US-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use HLA-C, HLA-A, HLA-B ALDH1A1 2269/4885CYP3A4 677/4885CYP2A6 1312/4885

“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.