SCHEMBL25908577

SCHEMBL25908577

O=C(O)CC(CO)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 2/20 0.51
▸ CPB1 P15086 1/20 0.51
▸ CPA3 P15088 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP1 P29466 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ SLC15A1 P46059 2/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL28639320 1.00 CPA1 (0.51) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL2571746 0.91 CPA1 (0.56) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL7354310 0.86 CPA3 (0.66) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL8399603 0.86 CPA3 (0.66) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL7289839 0.86 CPA3 (0.66) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL27615712 0.85 CPA1 (0.50) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL15867715 0.84 SLC15A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8209162 0.83 MMP12 (0.50) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL8209161 0.83 MMP12 (0.50) CPA1CPB1CPA3CPB2ALDH1A1
SCHEMBL27372568 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2024-02-27 — — US disclosed
US-20230227421-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA JMD PHARMA CREATIVITY, LLC 2023-07-20 — — US disclosed
CN-110498750-B Synthesis method of (R) -4-hydroxy-1-methoxybutyl-2-ylcarbamate 南通大学 2021-10-15 — — CN 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-20230227421-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA NOS1, NOS3, NOS2 CPA1 2462/4885CPB1 3464/4885CPA3 1335/4885
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA NOS1, NOS3, NOS2 CPA1 2462/4885CPB1 3464/4885CPA3 1335/4885

“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.

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