SCHEMBL22887366

SCHEMBL22887366

O=C(O)c1cccc(/C=C/c2ccccc2OCCN2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.54
▸ NFE2L2 Q16236 4/20 0.54
▸ POLB P06746 2/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL22887364 0.89 KEAP1 (0.54) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL22887508 0.86 KDM4E (0.60) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL22887475 0.86 KDM4E (0.60) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL22887464 0.85 LTA4H (0.56) KEAP1NFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL26975791 0.85 LTA4H (0.56) KEAP1NFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22887284 0.81 KEAP1 (0.45) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL4698008 0.77 KDM4E (0.70) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL10130133 0.77 DDR2 (0.64) —
SCHEMBL22887473 0.75 KEAP1 (0.58) KEAP1NFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6042440 0.75 POLB (0.68) POLBKDM4EALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 — — US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 — — US disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 — — US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 — — 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-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT KEAP1 100/4885NFE2L2 713/4885POLB 2135/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KEAP1 100/4885NFE2L2 713/4885POLB 2135/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KEAP1 100/4885NFE2L2 713/4885POLB 2135/4885

“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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