SCHEMBL3056405

SCHEMBL3056405

COc1cc2c(cc1OCc1ccccc1)CCC(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.62
MAOB P27338 6/20 0.62
CYP19A1 P11511 2/20 0.60
CYP11B1 P15538 2/20 0.60
CYP11B2 P19099 2/20 0.60
CHRNA7 P36544 2/20 0.53
PDE4B Q07343 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3041636 0.93 MAOA (0.53) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL28532774 0.84 MAOB (0.63) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL29711788 0.84 MAOB (0.63) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL14865958 0.84 MAOB (0.63) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL16339494 0.82 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL16537757 0.82 PDE4A (0.53) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL16536586 0.82 PDE4A (0.53) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL6031474 0.81 EGFR (0.50) CHRNA7PDE4BPDE4APDE4CPDE4D
SCHEMBL5762667 0.80 CHRNA7 (0.55) CHRNA7PDE4BPDE4APDE4CPDE4D
SCHEMBL4814842 0.78 CHRNA7 (0.56) MAOAMAOBCHRNA7PDE4BCTSV

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-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC MAOA 2205/4885MAOB 1395/4885CYP19A1 186/4885

“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.