SCHEMBL22887364

SCHEMBL22887364

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.54
▸ NFE2L2 Q16236 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CASR P41180 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL22887366 0.89 KEAP1 (0.54) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL22887473 0.87 KEAP1 (0.58) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL22887463 0.86 KEAP1 (0.57) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL29496407 0.86 KEAP1 (0.57) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL385247 0.79 KDM4E (0.62) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL15754950 0.78 SMN1; SMN2 (0.54) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL12523832 0.77 MRGPRX4 (0.53) ALDH1A1POLBRAB9ANPC1KMT2A
SCHEMBL14992562 0.77 MRGPRX4 (0.53) ALDH1A1POLBRAB9ANPC1KMT2A
SCHEMBL6044278 0.76 MEN1 (0.72) KEAP1NFE2L2ALDH1A1KDM4EL3MBTL1
SCHEMBL23195583 0.76 SMN1; SMN2 (0.65) ALDH1A1KDM4ERAB9ATDP1SMN1; 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 7 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-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-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-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-03-08 — — 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 (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-11267780-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT KEAP1 100/4885NFE2L2 713/4885ALDH1A1 336/4885
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 713/4885ALDH1A1 336/4885
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 713/4885ALDH1A1 336/4885
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 713/4885ALDH1A1 336/4885

“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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