SCHEMBL20705397

SCHEMBL20705397

Bc1ccc(OCc2ccccc2)cc1B

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.61
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ LCK P06239 1/20 0.54
▸ MAOB P27338 10/20 0.53
▸ MAOA P21397 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TOP1 P11387 1/20 0.51
▸ GSTP1 P09211 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
SCHEMBL10212718 0.84 ALOX5 (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL12269234 0.84 ALOX5 (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL17615827 0.80 ALOX5 (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL14302686 0.80 MAOB (0.60) ALOX5CYP1A2MAOBRAB9ASMN1; SMN2
SCHEMBL339813 0.79 LMNA (0.82) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL27367676 0.79 LMNA (0.82) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL14302326 0.78 ALOX5 (0.73) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL12260995 0.78 LMNA (0.67) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL1268719 0.77 MAOB (0.81) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL8227293 0.77 MAOB (0.62) ALOX5LCKMAOBMAOAGAA

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
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 — — EP disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 — — 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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT ALOX5 444/4885LMNA 2324/4885CYP1A2 182/4885

“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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