Isopimpinellin

Isopimpinellin

SCHEMBL498907

COc1c2ccoc2c(OC)c2oc(=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 7/20 1.00
KDM4E B2RXH2 6/20 1.00
CYP1A2 P05177 5/20 1.00
CYP1A1 P04798 4/20 1.00
CYP1B1 Q16678 4/20 1.00
HPGD P15428 3/20 1.00
POLB P06746 1/20 1.00
ALDH1A1 P00352 6/20 0.79
ALOX15 P16050 1/20 0.79
MAPT P10636 3/20 0.67
ABCB1 P08183 1/20 0.67
KCNA2 P16389 2/20 0.66
BACE1 P56817 3/20 0.63
CYP2D6 P10635 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2A6 P11509 2/20 0.60
TSHR P16473 2/20 0.60
MAOA P21397 2/20 0.60
PDE4A P27815 2/20 0.60
MAPK1 P28482 2/20 0.60

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
Isopimpinellin SCHEMBL29568822 1.00 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL4187228 0.89 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL20278781 0.89 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL434686 0.89 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL31542614 0.89 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29787210 0.89 CYP3A4 (0.82) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL2255899 0.89 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL29162721 0.87 CYP3A4 (0.97) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6361059 0.86 CYP3A4 (0.75) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6200404 0.85 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1

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 1073 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260096569-A1 EDIBLE COATING WITH ANTIMICROBIAL PROPERTIES APEEL TECH INC (US) 2026-04-09 US claimed
US-20250177275-A1 ACTIVE AGENT MODULATING THE ACTIVITY OF AN ION CHANNEL FOR USE IN INHIBITION OF SKIN AGING CUTANEON - SKIN & HAIR INNOVATIONS GMBH (DE) 2025-06-05 US claimed
US-20250143995-A1 ACTIVE AGENT MODULATING THE ACTIVITY OF AN ION CHANNEL FOR USE IN REGULATION OF SKIN PIGMENTATION CUTANEON - SKIN & HAIR INNOVATIONS GMBH (DE) 2025-05-08 US claimed
US-20250129312-A1 CONSUMER PRODUCT COMPOSITIONS WITH PERFUME ENCAPSULATES PROCTER & GAMBLE (US) 2025-04-24 US claimed
CN-119587535-A Composition containing wampee amide and application thereof in preparation of drugs with liver injury treatment effect 海南医科大学(海南省医学科学院) 2025-03-11 CN claimed
US-20250051551-A1 IMPROVED POLYMER COMPOSITES WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2025-02-13 US claimed
EP-4496476-A1 GAS PHASE TREATMENT OF PRODUCE Apeel Technology, Inc. (US) 2025-01-29 EP claimed
US-12209232-B2 Consumer product compositions with perfume encapsulates THE PROCTER & GAMBLE COMPANY (US) 2025-01-28 US claimed
CN-119086759-A Quantitative detection method for eight-seed kidney-tonifying capsule component 石家庄以岭药业股份有限公司 2024-12-06 CN claimed
CN-119086760-A Method for determining in-vivo metabolites of Bazi kidney-tonifying capsules 石家庄以岭药业股份有限公司 2024-12-06 CN claimed
WO-2004022080-A2 BUGUZHI AGENT AND COMPOSITION AND METHODS OF PREPARING AND ADMINISTERING THE SAME THE UNIVERSITY OF HONG KONG (CN) 2004-03-18 WO claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
EP-0954304-A2 METHODS FOR REGULATING NICOTINE METABOLISM Nicogen Inc. (CA) 1999-11-10 EP claimed
CN-1230112-A Method of regulating nicotine metabolism NICOGEN INC (CA) 1999-09-29 CN claimed
WO-1998003171-A2 USE OF INHIBITORS OF CYP2A6 FOR REGULATING NICOTINE METABOLISM NICOGEN INC. (CA) 1998-01-29 WO claimed
US-5571082-A Method of producing therapeutic effect upon an organism to reduce the pathologic lymphocyte population BASHIKIROV ALEXEI B (RU) 1996-11-05 US 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

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-20260096569-A1 EDIBLE COATING WITH ANTIMICROBIAL PROPERTIES CYP51A1, ERG28, NISCH CYP3A4 3888/4885KDM4E 1123/4885CYP1A2 1467/4885

“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.