SCHEMBL4213219

SCHEMBL4213219

O=c1cc(CCl)c2ccc(OCc3cccc(F)c3)cc2o1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.66
▸ CYP11B1 P15538 1/20 0.66
▸ CYP11B2 P19099 1/20 0.66
▸ MAOB P27338 3/20 0.65
▸ ACHE P22303 2/20 0.64
▸ CYP3A4 P08684 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
SCHEMBL4210992 0.89 CYP19A1 (0.66) CYP19A1CYP11B1CYP11B2MAOBACHE
SCHEMBL4203685 0.87 MAOB (0.83) MAOB
SCHEMBL4203723 0.87 CA12 (0.71) MAOB
SCHEMBL4208125 0.87 MAOB (0.77) CYP19A1CYP11B1CYP11B2MAOBACHE
SCHEMBL4206449 0.86 MAOB (0.77) MAOBACHECYP3A4
SCHEMBL4216061 0.85 CA12 (0.67) MAOB
SCHEMBL4208266 0.84 MAOB (0.63) CYP19A1CYP11B1CYP11B2MAOBACHE
SCHEMBL4217923 0.84 MAOA (0.63) MAOB
SCHEMBL4211340 0.83 MAOB (0.62) CYP19A1CYP11B1CYP11B2MAOBACHE
SCHEMBL4209907 0.83 CYP3A4 (0.61) MAOBACHECYP3A4

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 1 patent. 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

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 CYP19A1 151/4885CYP11B1 33/4885CYP11B2 71/4885

“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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