SCHEMBL3312768

SCHEMBL3312768

COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3cccc(OC)c3OC)C2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 4/20 0.70
POLB P06746 3/20 0.68
YAP1 P46937 1/20 0.63
TEAD4 Q15561 1/20 0.63
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
MAOA P21397 3/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL3319323 0.94 KDM4E (0.71) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL3313341 0.92 POLB (0.80) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL23052397 0.90 POLB (0.76) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL23052172 0.90 POLB (0.76) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL3313199 0.86 KDM4E (0.75) KDM4EALDH1A1POLBKMT2AMAOA
SCHEMBL3312796 0.86 PKM (0.67) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL3314287 0.85 KDM4E (0.74) KDM4EALDH1A1POLBMEN1MAPK1
SCHEMBL23052473 0.84 KMT2A (0.74) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL14133365 0.84 MAPT (0.75) KDM4EALDH1A1POLBYAP1TEAD4
SCHEMBL3312861 0.83 KDM4E (0.69) KDM4EALDH1A1POLBKMT2A

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 KDM4E 332/4885ALDH1A1 576/4885POLB 2448/4885

“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.