SCHEMBL29496407

SCHEMBL29496407

COC(=O)c1cccc(/C=C/c2ccc(OCCN3CCOCC3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.57
▸ NFE2L2 Q16236 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.53
▸ KDR P35968 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ APP P05067 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ ESR2 Q92731 1/20 0.49
▸ PSMB1 P20618 1/20 0.49
▸ PSMB5 P28074 1/20 0.49

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
SCHEMBL22887463 1.00 KEAP1 (0.57) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL22887473 0.93 KEAP1 (0.58) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL26975791 0.89 LTA4H (0.56) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL22887464 0.89 LTA4H (0.56) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL22887364 0.86 KEAP1 (0.54) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL385247 0.85 KDM4E (0.62) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1
SCHEMBL63569 0.82 SMN1; SMN2 (0.72) SMN1; SMN2GAAALDH1A1KDM4EHRH3
SCHEMBL8190316 0.82 SMN1; SMN2 (0.61) SMN1; SMN2GAAALDH1A1KDM4EHRH3
Hydrochloric Acid SCHEMBL20575882 0.81 SMN1; SMN2 (0.70) SMN1; SMN2GAAALDH1A1KDM4EHRH3
SCHEMBL22887508 0.81 KDM4E (0.60) KEAP1NFE2L2SMN1; SMN2GAAALDH1A1

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-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-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

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-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 713/4885SMN1; SMN2 2073/4885
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 713/4885SMN1; SMN2 2073/4885
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 713/4885SMN1; SMN2 2073/4885

“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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