SCHEMBL4123659

SCHEMBL4123659

COC(=O)C(C#N)=Cc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
ADORA2A P29274 1/20 0.63
ADORA2B P29275 1/20 0.63
ADORA1 P30542 1/20 0.63
SLC16A1 P53985 13/20 0.58
APP P05067 1/20 0.55
SNCA P37840 1/20 0.55
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ABCB1 P08183 3/20 0.47
ABCC1 P33527 2/20 0.47

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
SCHEMBL29959844 1.00 POLB (0.64) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL13938656 1.00 POLB (0.64) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL4123656 1.00 POLB (0.64) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL14603500 0.85 POLB (0.47) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL4660049 0.85 POLB (0.47) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL10521426 0.85 ALDH1A1 (0.66) POLBKDM4EKMT2ALMNAMEN1
SCHEMBL4662622 0.85 ALDH1A1 (0.66) POLBKDM4EKMT2ALMNAMEN1
SCHEMBL4660043 0.85 POLB (0.47) POLBADORA2AADORA2BADORA1SLC16A1
SCHEMBL4662620 0.85 ALDH1A1 (0.66) POLBKDM4EKMT2ALMNAMEN1
SCHEMBL4661306 0.83 CRHBP (0.60) SLC16A1KDM4EKMT2ALMNAPKM

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-7476752-B2 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-3-phenyl-propionic acid alkyl or benzyl esters WYETH (US) 2009-01-13 US disclosed
WO-2005123663-A1 PROCESSES FOR THE PREPARATION OF 2-CYANO-3-NAPHTHALENE-1-YL-3-PHENYL-PROPIONIC ACID ALKYL OR BENZYL ESTERS WYETH (US) 2005-12-29 WO disclosed
US-20050277783-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-3-phenyl-propionic acid alkyl or benzyl esters WYETH (US) 2005-12-15 US disclosed
US-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters WYETH (US) 2005-12-15 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 (2 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-20050277783-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-3-phenyl-propionic acid alkyl or benzyl esters PCCA, PAH, CYP7A1 POLB 2400/4885ADORA2A 3110/4885ADORA2B 2250/4885
US-20050277784-A1 Processes for the preparation of 2-cyano-3-naphthalene-1-yl-acrylic acid alkyl or benzyl esters TNF, ACACA, PCCA POLB 1874/4885ADORA2A 2736/4885ADORA2B 875/4885

“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.