SCHEMBL3318038

SCHEMBL3318038

COc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.76
MAOB P27338 3/20 0.73
MAOA P21397 2/20 0.73
ACHE P22303 3/20 0.73
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
PTGS2 P35354 1/20 0.68
PKM P14618 2/20 0.67
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
CA4 P22748 1/20 0.67

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
SCHEMBL15436205 0.93 MAOB (0.81) EGFRMAOBMAOANPC1RAB9A
SCHEMBL21440072 0.93 MAOB (0.81) EGFRMAOBMAOANPC1RAB9A
SCHEMBL3308921 0.92 MAOB (0.83) MAOBMAOAACHEKMT2APTGS2
SCHEMBL3314904 0.90 ACHE (0.71) EGFRMAOBMAOAACHEKMT2A
SCHEMBL3314530 0.90 MAOB (0.83) EGFRMAOBMAOAACHENPC1
SCHEMBL3314128 0.88 ACHE (0.71) EGFRMAOBMAOAACHENPC1
SCHEMBL16181219 0.87 MAOB (0.74) EGFRMAOBMAOAACHEKMT2A
SCHEMBL23052467 0.86 MAOB (0.71) MAOBMAOAACHEKMT2APTGS2
SCHEMBL3314170 0.86 KMT2A (0.86) MAOBMAOANPC1RAB9AMEN1
SCHEMBL3311061 0.85 KDM4E (0.70) NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C EGFR 4860/4885MAOB 233/4885MAOA 181/4885

“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.