Pentosalen

Pentosalen

SCHEMBL50437

CC(C)=CCOc1c2occc2cc2ccc(=O)oc12

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 5/20 1.00
ALDH1A1 P00352 5/20 1.00
BACE1 P56817 4/20 1.00
CYP1B1 Q16678 3/20 1.00
ABCB1 P08183 2/20 1.00
GAA P10253 1/20 1.00
KDM4E B2RXH2 6/20 0.81
TDP1 Q9NUW8 2/20 0.81
HPGD P15428 2/20 0.81
ALOX15 P16050 1/20 0.81
MAPT P10636 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP1A1 P04798 2/20 0.64
HSD17B10 Q99714 2/20 0.63
POLB P06746 1/20 0.63
MAOA P21397 2/20 0.62
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
ACHE P22303 2/20 0.61
MAPK1 P28482 2/20 0.61

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
Pentosalen SCHEMBL29565922 1.00 CYP3A4 (1.00) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
Pentosalen SCHEMBL6267069 0.99 CYP3A4 (0.98) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL4538668 0.90 CYP3A4 (1.00) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
Z-Trichoclin SCHEMBL19004128 0.89 CYP3A4 (0.80) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL8806449 0.81 CYP3A4 (0.71) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL31315053 0.81 CYP1B1 (0.88) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL24994560 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL19346055 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL19345987 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1BACE1CYP1B1ABCB1
SCHEMBL19331315 0.80 CYP3A4 (0.65) CYP3A4ALDH1A1BACE1CYP1B1ABCB1

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

Appears in 2893 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714440-A2 A HEALING HERBAL-MINERAL COMPOSITION WITH ENHANCED EFFECTS Kurek, Janusz (PL) 2026-03-25 EP claimed
CN-121583384-A Nucleic acid-small molecule non-covalent complex and preparation method and application thereof 上海中医药大学 2026-02-27 CN claimed
EP-3697427-B1 COMPOSITIONS FOR IMPROVING LEAN BODY MASS, BROWN ADIPOSE TISSUE AND FOR INHIBITING ADVANCED GLYCATION END PRODUCTS P L THOMAS LAILA NUTRACEUTICALS INC (US) 2025-12-10 EP claimed
WO-2025235823-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURONAL INJURY AND NEURODE GENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2025-11-13 WO claimed
EP-4580612-A1 USE OF NRF2 ACTIVATORS FOR THE TREATMENT OF CEREBRAL SMALL VESSEL DISEASE Institut National de la Santé et de la Recherche Médicale (FR) 2025-07-09 EP claimed
US-20250212873-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-07-03 US claimed
CN-120131726-A Pharmaceutical composition for preventing and treating headache and application thereof 四川省中医药科学院 2025-06-13 CN claimed
CN-120064505-A Method for measuring contents of various chemical components in kidney-tonifying and liver-nourishing prescription 天津中医药大学第一附属医院 2025-05-30 CN claimed
CN-116399973-B Method for measuring contents of various effective components in Zhikang capsules by HPLC (high Performance liquid chromatography) 西安千禾药业股份有限公司 2025-05-27 CN claimed
CN-119985390-A Radix angelicae medicinal material quality evaluation method based on near infrared spectrum technology 河北中医药大学 2025-05-13 CN claimed
CN-1427004-A Method of extracting peucedanin from angelica XIEHE GROUP CO LTD SHENYANG (CN) 2003-07-02 CN claimed
CN-1408399-A Medicine for curing hyperthermia and its prepn LIYUAN PHARMACEUTICAL CO LTD J (CN) 2003-04-09 CN claimed
CN-1380059-A Application of petroselinum sativum extract B in preparation of medicine for preventing and curing ischemic cerebral apoplexy NO 2 MILITARY MEDICAL COLLEGE (CN) 2002-11-20 CN claimed
EP-0954304-A2 METHODS FOR REGULATING NICOTINE METABOLISM Nicogen Inc. (CA) 1999-11-10 EP claimed
US-5720304-A DIAGNOSIS BY CONVENTIONAL MEDICAL TECHNIQUE OR BI-DIGITAL-O-RING TEST; HAVING PATIENT INGEST ANTIBIOTIC OR ANTIVIRAL AGENT, ALSO INGEST A HERB CONCENTRATION OF UMBELLIFERAE FAMILY OVER SUSTAINED PERIOD OF TIME OMURA YOSHIAKI (US) 1998-02-24 US claimed
WO-1998003171-A2 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 1998-01-29 WO claimed
EP-0352198-B1 5-methoxypsoralen and other furocoumarins as jet lag suppressants GOUPIL JEAN JACQUES (FR) 1994-04-13 EP claimed
CN-1080537-A The goods of protect against osteoporosis and method for making thereof MEDICINE TECH DEV CENTRE ZHANJ (CN) 1994-01-12 CN claimed
US-4939167-A Use of 5-methoxypsoralen and other furocoumarins as jet lag suppressants JEAN JACQUES GOUPIL (FR) 1990-07-03 US claimed
EP-0352198-A2 5-methoxypsoralen and other furocoumarins as jet lag suppressants Goupil, Jean-Jacques (FR) 1990-01-17 EP claimed