SCHEMBL3314128

SCHEMBL3314128

CCc1ccc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.71
MAOB P27338 3/20 0.67
MAOA P21397 2/20 0.64
PKM P14618 1/20 0.63
KMT2A Q03164 2/20 0.60
EGFR P00533 2/20 0.60
PTGS2 P35354 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL3312732 0.91 ACHE (0.59) ACHEKMT2A
SCHEMBL3308921 0.89 MAOB (0.83) ACHEMAOBMAOAPKMKMT2A
SCHEMBL3318038 0.88 EGFR (0.76) ACHEMAOBMAOAPKMKMT2A
SCHEMBL3319419 0.87 KDM4E (0.68) ACHEMAOBMAOAKMT2A
SCHEMBL3314904 0.87 ACHE (0.71) ACHEMAOBMAOAPKMKMT2A
SCHEMBL3314530 0.87 MAOB (0.83) ACHEMAOBMAOAPKMKMT2A
SCHEMBL3314726 0.85 KDM4E (0.69) ACHEMAOBMAOAKMT2A
SCHEMBL8198693 0.84 RAB9A (0.55) ACHEMAOBMAOAKMT2ANPC1
SCHEMBL16181219 0.84 MAOB (0.74) ACHEMAOBMAOAPKMKMT2A
SCHEMBL23052467 0.84 MAOB (0.71) ACHEMAOBMAOAPKMKMT2A

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 ACHE 572/4885MAOB 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.