SCHEMBL15034448

SCHEMBL15034448

O=C1C[C@H](O)C[C@@H](CCOc2cc3c(cc2[N+](=O)[O-])OCO3)O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15034465 0.77 MAOB (0.48) POLBALDH1A1
SCHEMBL10481235 0.75 MAPT (0.50) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL15034472 0.74 — —
SCHEMBL7341085 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL6968157 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL11697163 0.70 MAPT (0.53) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL10036507 0.67 KMT2A (0.39) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL9130814 0.67 MAPT (0.49) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL27195625 0.65 MAPT (0.57) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL3022688 0.65 ALDH1A1 (0.57) MEN1MAPTKMT2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — 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 (1 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-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT MEN1 2495/4885MAPT 701/4885KMT2A 1673/4885

“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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