Isosafrole

Isosafrole

SCHEMBL1760685

C/C=C\c1ccc2c(c1)OCO2

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 1/20 1.00
ATM Q13315 1/20 1.00
CYP19A1 P11511 2/20 0.62
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 1/20 0.57
MTOR P42345 1/20 0.57
RAB9A P51151 1/20 0.57
VCP P55072 1/20 0.57
PGR P06401 1/20 0.57
AR P10275 1/20 0.57
GABRA1 P14867 1/20 0.57
MAOA P21397 1/20 0.57
SLC6A2 P23975 1/20 0.57
PDE4A P27815 1/20 0.57
KDR P35968 1/20 0.57
GABRB2 P47870 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
Isosafrole SCHEMBL7075676 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL266169 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL30302237 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL29365996 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL14764127 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL345862 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL28514792 0.98 CYP3A4 (0.96) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL28514793 0.98 CYP3A4 (0.96) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL10931493 0.91 CYP3A4 (0.83) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL30302238 0.90 CYP3A4 (0.81) CYP3A4ATMCYP19A1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052547-A1 USE OF STIRIPENTOL AND THEIR DERIVATIVES FOR DECREASING URINARY OXALATE CONCENTRATION IN AN INDIVIDUAL INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (NSERM) (FR) 2021-02-25 US claimed
EP-3416955-B1 USE OF STIRIPENTOL AND THEIR DERIVATIVES FOR DECREASING URINARY OXALATE CONCENTRATION IN AN INDIVIDUAL INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2020-09-09 EP claimed
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP claimed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US claimed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 EP claimed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO claimed
JP-10120674-A None JP disclosed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
CN-114098141-B Electronic atomized liquid containing borneol plant components and preparation method thereof 深圳市真味生物科技有限公司 2023-02-10 CN disclosed
US-20230045778-A9 HETEROGENEOUS HYDROGEN-CATALYST SOLID FUEL REACTION MIXTURE AND REACTOR BRILLIANT LIGHT POWER, INC. (US) 2023-02-09 US disclosed
CN-115518096-A Integrated comprehensive extraction and separation method for effective components of epimedium 李玉山 2022-12-27 CN disclosed
CN-114098141-A Electronic atomized liquid containing borneol plant components and preparation method thereof 深圳市真味生物科技有限公司 2022-03-01 CN disclosed
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
US-6252092-B1 CATALYTIC HYDROGENATION OF 4-ACYLPHENOL; ACETYLATION; REACTING WITH A LEWIS ACID; THEN HYDROGEN PEROXIDE; CYCLIZATION ENDURA S.P.A. (IT) 2001-06-26 US disclosed
EP-1048664-A2 Process for the synthesis of 5-allybenzodioxoles ENDURA S.p.A. (IT) 2000-11-02 EP disclosed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
JP-H10120674-A PRODUCTION OF 2-METHYL-3-(3,4-METHYLENEDIOXYPHENYL) ACRYLIC ALDEHYDE T HASEGAWA CO LTD 1998-05-12 JP disclosed
EP-0780340-A1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORPORATION (US) 1997-06-25 EP disclosed
US-4138411-A RUTHENIUM OR OSMIUM CATALYST RHONE-POULENC S. A. (FR) 1979-02-06 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 (2 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-20210052547-A1 USE OF STIRIPENTOL AND THEIR DERIVATIVES FOR DECREASING URINARY OXALATE CONCENTRATION IN AN INDIVIDUAL OAT, OXER1, SLCO2A1 CYP3A4 1737/4885ATM 4295/4885CYP19A1 447/4885
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 CYP3A4 2348/4885ATM 241/4885CYP19A1 4362/4885

“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.