SCHEMBL4660013

SCHEMBL4660013

CCOC(=O)C(C#N)C(c1cc(OC)ccc1OC)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MTNR1A P48039 5/20 0.41
MTNR1B P49286 4/20 0.41
HTR2C P28335 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SHMT2 P34897 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 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
SCHEMBL4659893 0.93 MEN1 (0.42) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4659958 0.89 L3MBTL1 (0.43) NPBWR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4661547 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL4661479 0.87 ALDH1A1 (0.45) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4661450 0.87 MAPK1 (0.41) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4659953 0.86 NPBWR1 (0.46) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4659898 0.86 MEN1 (0.44) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4660164 0.82 SMN1; SMN2 (0.41) NPBWR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4661361 0.82 SMN1; SMN2 (0.41) NPBWR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4661277 0.81 GAA (0.41) NPBWR1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP claimed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US claimed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US claimed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 WO claimed
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 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 (3 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 NPBWR1 1317/4885ALDH1A1 4483/4885KDM4E 1711/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 NPBWR1 1014/4885ALDH1A1 1159/4885KDM4E 2551/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 NPBWR1 1062/4885ALDH1A1 1172/4885KDM4E 2836/4885

“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.