SCHEMBL801384

SCHEMBL801384

COc1ccc(C(C)C)cc1OCC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 5/20 0.42
BCHE P06276 2/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTT P42858 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL801588 0.94 CYP1A2 (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL12832999 0.81 PDK2 (0.38) PDE4DSMN1; SMN2ACHEBCHETSHR
SCHEMBL682779 0.80 ALDH1A1 (0.52) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL84033 0.78 PPARG (0.53) ALDH1A1L3MBTL1ACHECYP1A2PPARG
SCHEMBL13241827 0.78 ACHE (0.37) SMN1; SMN2ACHEBCHERAB9AHTT
SCHEMBL17365878 0.78 ACHE (0.59) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8726445 0.78 CA12 (0.59) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL24805233 0.77 ALDH1A1 (0.34) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11951574 0.77 PDE4A (0.44) PDE4APDE4BPDE4DSMN1; SMN2PPARG
SCHEMBL24805185 0.76 ALDH1A1 (0.36) ALDH1A1PDE4APDE4BPDE4CPDE4D

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E ALDH1A1 3464/4885PDE4A 310/4885PDE4B 434/4885

“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.