SCHEMBL8975189

SCHEMBL8975189

CC(=O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
FFAR4 Q5NUL3 1/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
FOLH1 Q04609 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
APP P05067 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXRA P19793 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
SLC2A1 P11166 1/20 0.50

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
SCHEMBL10730593 0.93 SMPD1 (0.60) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL10731769 0.93 MTNR1A (0.64) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL24505350 0.88 FFAR4 (0.68) FFAR4MAPTFOLH1SMN1; SMN2RXRA
SCHEMBL3817639 0.87 FFAR4 (0.55) MTNR1AMTNR1BFFAR4MAPTPOLB
SCHEMBL10980236 0.87 NPC1 (0.57) FFAR4MAPTFOLH1NPC1RAB9A
SCHEMBL5273788 0.87 SMN1; SMN2 (0.52) FFAR4MAPTTHRBFOLH1RAB9A
SCHEMBL26851429 0.85 MTNR1A (0.55) MTNR1AMTNR1BFFAR4MAPTPOLB
SCHEMBL11827307 0.85 FFAR4 (0.64) MTNR1AMTNR1BFFAR4MAPTPOLB
SCHEMBL6214774 0.84 FOLH1 (0.51) MTNR1AMTNR1BFFAR4MAPTPOLB
SCHEMBL8072945 0.84 PTGER1 (0.52) MTNR1AMTNR1BFFAR4MAPTPOLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217945-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE ARCADIA MEDICINE, INC. 2024-07-04 US disclosed
US-20240217945-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE ARCADIA MEDICINE, INC. 2024-07-04 US disclosed
EP-4392402-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2024-07-03 EP disclosed
US-20240115710-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2024-04-11 US disclosed
US-11896670-B2 Synthesis routes to access MDMA prodrugs by using controlled and non-controlled intermediates Mind Medicine, Inc. (US) 2024-02-13 US disclosed
US-20230382885-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE ARCADIA MEDICINE, INC. 2023-11-30 US disclosed
US-20230382885-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE ARCADIA MEDICINE, INC. 2023-11-30 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
WO-2023056102-A1 NOVEL PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF ATAI Life Sciences AG (DE) 2023-04-06 WO 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-2023028022-A1 SYNTHESIS ROUTES TO ACCESS MDMA PRODRUGS BY USING CONTROLLED AND NON-CONTROLLED INTERMEDIATES Mind Medicine, Inc. (US) 2023-03-02 WO disclosed
US-5482971-A Beta3 -adrenergic agents and their use in pharmaceutical compositions AMERICAN CYANAMID COMPANY (US) 1996-01-09 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 (3 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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 MTNR1A 311/4885MTNR1B 260/4885FFAR4 1004/4885
US-20240217945-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE HTR1A, PNMT, HTR2C MTNR1A 357/4885MTNR1B 527/4885FFAR4 2397/4885
US-20230382885-A1 ENANTIOMERIC ENTACTOGEN COMPOSITIONS AND THEIR USE HTR1A, PNMT, HTR2C MTNR1A 357/4885MTNR1B 527/4885FFAR4 2397/4885

“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.