SCHEMBL3314726

SCHEMBL3314726

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.55
ACHE P22303 5/20 0.54
MAOB P27338 1/20 0.52
PDE5A O76074 1/20 0.52
MAOA P21397 1/20 0.52

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
SCHEMBL3319419 0.94 KDM4E (0.68) KDM4EALDH1A1KMT2APOLBACHE
SCHEMBL3318235 0.91 KDM4E (0.71) KDM4EALDH1A1KMT2APOLBACHE
SCHEMBL3314542 0.91 KDM4E (0.71) KDM4EALDH1A1KMT2APOLBPDE5A
SCHEMBL3314425 0.90 KDM4E (0.70) KDM4EALDH1A1KMT2APOLBACHE
SCHEMBL3310748 0.90 KDM4E (0.70) KDM4EALDH1A1KMT2APOLBACHE
SCHEMBL3312732 0.88 ACHE (0.59) KMT2AACHE
SCHEMBL3314287 0.85 KDM4E (0.74) KDM4EALDH1A1KMT2APOLBACHE
SCHEMBL3314128 0.85 ACHE (0.71) KMT2AACHEMAOBMAOA
SCHEMBL22420541 0.85 KDM4E (0.66) KDM4EALDH1A1KMT2APOLBMAOB
SCHEMBL22420546 0.85 MAOB (0.72) KDM4EALDH1A1KMT2APOLBMAOB

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-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
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KDM4E 332/4885ALDH1A1 576/4885KMT2A 2514/4885

“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.