SCHEMBL22887475

SCHEMBL22887475

O=C(O)c1cccc(/C=C/c2cccc(OCCN3CCOCC3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ TSHR P16473 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ KEAP1 Q14145 5/20 0.56
▸ NFE2L2 Q16236 5/20 0.56
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 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
SCHEMBL22887508 1.00 KDM4E (0.60) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL22887464 0.92 LTA4H (0.56) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL26975791 0.92 LTA4H (0.56) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL4698008 0.90 KDM4E (0.70) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL22887473 0.88 KEAP1 (0.58) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL22887366 0.86 KEAP1 (0.54) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL29417693 0.82 KDM4E (0.62) KDM4ETSHRTP53MAPTALDH1A1
SCHEMBL210600 0.82 KDM4E (0.62) KDM4ETSHRTP53MAPTALDH1A1
SCHEMBL10021702 0.81 KEAP1 (0.57) KDM4ETSHRTP53KEAP1NFE2L2
SCHEMBL29496407 0.81 KEAP1 (0.57) KDM4EKEAP1NFE2L2ALDH1A1SMN1; 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 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 KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT KDM4E 3545/4885TSHR 3744/4885TP53 2885/4885

“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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