SCHEMBL547618

SCHEMBL547618

CC(=O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TAAR1 Q96RJ0 3/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
CMA1 P23946 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL30992968 1.00 CYP3A4 (0.68) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5207755 0.89 ALDH1A1 (0.59) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL26372738 0.86 CYP3A4 (0.73) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6630039 0.85 CYP3A4 (0.62) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7148530 0.85 CYP3A4 (0.72) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29642680 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3944098 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL138875 0.84 CYP3A4 (0.75) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29364835 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7406 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250033082-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2025-01-30 US claimed
EP-4423178-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2024-09-04 EP claimed
CN-118201991-A Methods and compositions for reducing solvent release from agrochemical formulations and reducing agrochemical formulation odor 安道麦马克西姆有限公司 2024-06-14 CN claimed
US-11906456-B2 Sensor element, sensor device, sensor system and detection method KABUSHIKI KAISHA TOSHIBA (JP) 2024-02-20 US claimed
WO-2023073536-A1 METHOD AND COMPOSITION FOR REDUCING SOLVENT RELEASE FROM, AND REDUCING ODOR OF, AGROCHEMICAL FORMULATIONS ADAMA MAKHTESHIM LTD. (IL) 2023-05-04 WO claimed
US-20220273680-A1 Methods of Treating Psychological and Brain Disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-09-01 US claimed
EP-4013403-A1 METHODS OF TREATING PSYCHOLOGICAL AND BRAIN DISORDERS University of Maryland, Baltimore (US) 2022-06-22 EP claimed
WO-2021030571-A1 METHODS OF TREATING PSYCHOLOGICAL AND BRAIN DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-02-18 WO claimed
JP-8081468-A None JP disclosed
US-12600708-B2 Prodrug compounds of 3,4-methylenedioxymethamphetamine (MDMA) and methods of synthesizing the same APOAPSIS HOLDINGS, LLC (US) 2026-04-14 US disclosed
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
EP-4662205-A1 DERIVATIVES, IMMUNOGENS, AND ANTIBODIES AND USE OF THE SAME IN DETECTION OF ECSTASY-CLASS COMPOUNDS Siemens Healthcare Diagnostics, Inc. (US) 2025-12-17 EP disclosed
US-20250179042-A1 USE OF DEUTERATED EMPATHOGENS AS THERAPEUTIC AGENTS ALEXANDER SHULGIN RES INSTITUTE INC (US) 2025-06-05 US disclosed
EP-0004929-B1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS COMPRISING ISOCHROMAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BAYER AG (DE) 1981-04-08 EP disclosed
US-4247560-A 6,7-Methylenedioxy-isochromane arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
EP-0021840-A1 Heterocyclic compounds, processes for their preparation and compositions containing them GLAXO GROUP LIMITED (GB) 1981-01-07 EP disclosed
EP-0004929-A2 Insecticidal and acaricidal compositions comprising isochroman derivatives, process for their preparation and application BAYER AG (DE) 1979-10-31 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (4 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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C CYP3A4 576/4885ALDH1A1 1951/4885CYP1A2 148/4885
US-12600708-B2 Prodrug compounds of 3,4-methylenedioxymethamphetamine (MDMA) and methods of synthesizing the same OPRM1, DRD3, SLC6A3 CYP3A4 106/4885ALDH1A1 614/4885CYP1A2 33/4885
US-20250179042-A1 USE OF DEUTERATED EMPATHOGENS AS THERAPEUTIC AGENTS SLC18A2, SLC6A3, GAP43 CYP3A4 480/4885ALDH1A1 1753/4885CYP1A2 345/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 CYP3A4 194/4885ALDH1A1 1469/4885CYP1A2 64/4885

“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.