SCHEMBL4211377

SCHEMBL4211377

O=c1cc(CCO)c2ccc(OCc3ccccc3)cc2o1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.68
▸ MAOA P21397 3/20 0.68
▸ BCHE P06276 2/20 0.68
▸ ACHE P22303 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ CASP3 P42574 1/20 0.66
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ CA12 O43570 1/20 0.65
▸ CA9 Q16790 1/20 0.65
▸ HSP90AA1 P07900 1/20 0.64
▸ KMT2A Q03164 1/20 0.64

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
SCHEMBL4209951 0.88 MAOB (0.66) MAOBMAOABCHEACHECYP3A4
SCHEMBL4221730 0.88 MAOB (0.82) MAOBMAOA
SCHEMBL4203723 0.85 CA12 (0.71) MAOBMAOANPC1RAB9ACASP3
SCHEMBL4206741 0.83 NPC1 (0.59) MAOBMAOANPC1RAB9ACASP3
SCHEMBL7549311 0.82 MAOB (0.72) MAOBMAOANPC1RAB9ACASP3
SCHEMBL4206240 0.82 ALDH1A1 (0.58) MAOBNPC1RAB9ATDP1HSP90AA1
SCHEMBL27704583 0.81 CA12 (0.58) MAOBMAOABCHEACHECYP3A4
SCHEMBL29116822 0.81 MAOB (0.74) MAOBMAOAACHENPC1RAB9A
SCHEMBL4211668 0.81 — —
SCHEMBL4213523 0.81 MAOB (0.68) MAOBMAOABCHEACHECYP3A4

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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 — — US disclosed
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 — — CN disclosed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 — — EP disclosed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 — — WO 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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 MAOB 1/4885MAOA 2/4885BCHE 98/4885

“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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