Isosafrole

Isosafrole

SCHEMBL266169

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 SCHEMBL30302237 1.00 CYP3A4 (1.00) CYP3A4ATMCYP19A1ALDH1A1HSD17B10
Isosafrole SCHEMBL1760685 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 1224 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171489-B1 SANITIZING COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2026-03-25 EP claimed
CN-119977936-A Synthesis and treatment process of natural heliotropin 贵州柏森香料有限公司 2025-05-13 CN claimed
CN-118161484-B Pharmaceutical composition for treating asthma and application thereof 黑龙江中医药大学 2025-03-04 CN claimed
CN-113416184-B Method for extracting isosaftoside, vitexin and alkaloid from konjak 南京师范大学 2023-09-22 CN claimed
US-20230255868-A1 SANITIZING COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2023-08-17 US claimed
EP-4171489-A1 SANITIZING COMPOSITION Unilever IP Holdings B.V. (NL) 2023-05-03 EP claimed
CN-111362902-B Preparation method of heliotropin 绵阳三香汇生物科技有限公司 2023-03-31 CN claimed
WO-2022002882-A1 SANITIZING COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2022-01-06 WO claimed
CN-214973952-U Synthetic isosafrole reation kettle 金溪县绿萃香精香料有限公司 2021-12-03 CN claimed
CN-113201400-A Production process for preparing spice by extraction method 江西思派思香料化工有限公司 2021-08-03 CN 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
CN-1332736-A Process for synthesis of 5-(-hydroxyalkyl) benzo [1,3] dioxols ENDURA SPA (IT) 2002-01-23 CN 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
EP-1048664-A2 Process for the synthesis of 5-allybenzodioxoles ENDURA S.p.A. (IT) 2000-11-02 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
US-5466696-A Mixtures for treatment of alzheimer's disease WARNER LAMBERT COMPANY (US) 1995-11-14 US claimed
EP-0659082-A1 USE OF CYTOCHROME P450 INHIBITORS FOR INHIBITING THE METABOLISM OF NITROGEN SUBSTITUTED ACRIDINE WARNER-LAMBERT COMPANY (US) 1995-06-28 EP claimed
US-5422350-A Alzheimer's disease WARNER-LAMBERT COMPANY (US) 1995-06-06 US claimed
WO-1994005296-A2 USE OF CYTOCHROME P450 INHIBITORS FOR INHIBITING THE METABOLISM OF NITROGEN SUBSTITUTED ACRIDINE WARNER-LAMBERT COMPANY (US) 1994-03-17 WO claimed
US-4360606-A Photo-degradable polymer compositions OWENS-ILLINOIS, INC. (US) 1982-11-23 US claimed