SCHEMBL9435002

SCHEMBL9435002

CN[C@H](C)Cc1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.66
ALOX12 P18054 4/20 0.66
TP53 P04637 3/20 0.66
MAPK1 P28482 3/20 0.66
HIF1A Q16665 3/20 0.66
HSD17B10 Q99714 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MEN1 O00255 2/20 0.66
ALDH1A1 P00352 2/20 0.66
ESR1 P03372 2/20 0.66
CYP3A4 P08684 2/20 0.66
HPGD P15428 2/20 0.66
RECQL P46063 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP1A2 P05177 2/20 0.66
NFKB1 P19838 2/20 0.66
THPO P40225 2/20 0.66
MAPT P10636 2/20 0.66
CYP2D6 P10635 2/20 0.66
SLC6A2 P23975 2/20 0.66

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
SCHEMBL29462572 1.00 ALOX15 (0.66) ALOX15ALOX12TP53MAPK1HIF1A
SCHEMBL2738991 1.00 ALOX15 (0.66) ALOX15ALOX12TP53MAPK1HIF1A
SCHEMBL2956883 0.85 ALOX15 (0.66) ALOX15ALOX12TP53MAPK1HIF1A
SCHEMBL13748214 0.83 ALOX15 (0.63) ALOX15ALOX12TP53MAPK1HIF1A
SCHEMBL4071418 0.81 ALOX15 (0.61) ALOX15ALOX12TP53MAPK1HIF1A
SCHEMBL5277808 0.81 ALOX15 (0.71) ALOX15ALOX12KDM4EMEN1CYP3A4
SCHEMBL3900627 0.81 FOS (0.71) ALOX15ALOX12MAPK1ALDH1A1CYP3A4
SCHEMBL3900634 0.81 FOS (0.71) ALOX15ALOX12MAPK1ALDH1A1CYP3A4
SCHEMBL3992083 0.81 NR1I2 (0.46) ALOX15HSD17B10ALDH1A1CYP2D6SLC6A2
SCHEMBL5277797 0.81 ALOX15 (0.71) ALOX15ALOX12KDM4EMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11896670-B2 Synthesis routes to access MDMA prodrugs by using controlled and non-controlled intermediates Mind Medicine, Inc. (US) 2024-02-13 US claimed
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use CYBIN IRL LIMITED (IE) 2026-05-19 US disclosed
EP-4724062-A2 COMPOSITIONS AND METHODS FOR INCREASING EXPOSURE OF R(-)-MDA EmpathBio, Inc. (US) 2026-04-15 EP disclosed
EP-4687880-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT Tactogen Inc. (US) 2026-02-11 EP disclosed
US-20260021069-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2026-01-22 US disclosed
EP-4673127-A1 DEUTERATED AND FLUORINATED EMPATHOGENS Alexander Shulgin Research Institute, Inc. (US) 2026-01-07 EP disclosed
EP-4611738-A1 COMPOSITIONS COMPRISING MDMA AND METHODS OF USING SAME Lykos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
US-20250179042-A1 USE OF DEUTERATED EMPATHOGENS AS THERAPEUTIC AGENTS ALEXANDER SHULGIN RES INSTITUTE INC (US) 2025-06-05 US disclosed
US-20250170095-A1 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF PHARMALA BIOTECH INC. (CA) 2025-05-29 US disclosed
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2025-05-08 US disclosed
US-20230066171-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 US disclosed
WO-2023028091-A1 DEUTERATED EMPATHOGENS ALEXANDER SHULGIN RESEARCH INSTITUTE (US) 2023-03-02 WO disclosed
WO-2023028092-A2 FLUORINATED EMPATHOGENS ALEXANDER SHULGIN RESEARCH INSTITUTE (US) 2023-03-02 WO disclosed
WO-2023028022-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 WO disclosed
WO-2023019369-A1 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF PHARMALA BIOTECH INC. (CA) 2023-02-23 WO disclosed
WO-2022106947-A1 MDMA PRODRUGS TO ASSIST PSYCHOTHERAPY LIECHTI MATTHIAS EMANUEL (CH) 2022-05-27 WO disclosed
US-20220151986-A1 MDMA PRODRUGS TO ASSIST PSYCHOTHERAPY Mind Medicine, Inc. (US) 2022-05-19 US disclosed
WO-2022038171-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2022-02-24 WO disclosed
WO-2014033555-A2 SAMPLE COLLECTION DEVICES COMPRISING CONTROLS CONCATENO UK Ltd. (GB) 2014-03-06 WO disclosed
WO-1994000432-A1 ANORECTIC EPINEPHRINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-06 WO 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 (5 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-20260021069-A1 ADVANTAGEOUS FLUOROBENZOFURANS FOR THE TREATMENT OF MENTAL DISORDERS OR ENHANCEMENT HCN1, HCN4, CRH ALOX15 2734/4885ALOX12 2143/4885TP53 4824/4885
US-20250179042-A1 USE OF DEUTERATED EMPATHOGENS AS THERAPEUTIC AGENTS SLC18A2, SLC6A3, GAP43 ALOX15 3783/4885ALOX12 3633/4885TP53 4092/4885
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use HTR2C, HTR1A, HTR2A ALOX15 3026/4885ALOX12 2015/4885TP53 4547/4885
US-20250170095-A1 COMPOSITIONS COMPRISING NON-RACEMIC MIXTURES OF (R)- AND (S)-3,4-METHYLENEDIOXYMETHAMPHETAMINE OR (R) AND (S) N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE AND USES THEREOF DRD3, DRD1, DRD2 ALOX15 3635/4885ALOX12 3983/4885TP53 4756/4885
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE PNMT, HTR7, HTR2C ALOX15 912/4885ALOX12 992/4885TP53 3558/4885

“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.