SCHEMBL22887464

SCHEMBL22887464

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KEAP1 Q14145 3/20 0.55
▸ NFE2L2 Q16236 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PSMB1 P20618 1/20 0.52
▸ PSMB5 P28074 1/20 0.52
▸ APP P05067 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ KDR P35968 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL26975791 1.00 LTA4H (0.56) LTA4HKDM4EALDH1A1KEAP1NFE2L2
SCHEMBL22887475 0.92 KDM4E (0.60) KDM4EALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL22887508 0.92 KDM4E (0.60) KDM4EALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL22887463 0.89 KEAP1 (0.57) LTA4HKDM4EALDH1A1KEAP1NFE2L2
SCHEMBL29496407 0.89 KEAP1 (0.57) LTA4HKDM4EALDH1A1KEAP1NFE2L2
SCHEMBL22887366 0.85 KEAP1 (0.54) KDM4EALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL4698008 0.84 KDM4E (0.70) KDM4EALDH1A1KEAP1NFE2L2SMN1; SMN2
SCHEMBL24411018 0.81 LTA4H (0.61) LTA4HKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7984699 0.81 LTA4H (0.72) LTA4HKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL991354 0.81 ALDH1A1 (0.76) LTA4HKDM4EALDH1A1SMN1; SMN2GAA

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-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-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 (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-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT LTA4H 192/4885KDM4E 3545/4885ALDH1A1 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 LTA4H 192/4885KDM4E 3545/4885ALDH1A1 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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