SCHEMBL4766931

SCHEMBL4766931

COc1ccccc1C(c1cccc2ccccc12)[C@](C#N)(Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CTSL P07711 2/20 0.42
CTSV O60911 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSD P07339 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
NR3C1 P04150 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM4 Q8TD43 1/20 0.36

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
SCHEMBL4722949 1.00 ESR1 (0.42) ESR1ESR2CTSLCTSVCTSB
SCHEMBL4660129 0.91 ESR1 (0.44) ESR1ESR2GAAMEN1KMT2A
SCHEMBL5686369 0.91 ESR1 (0.44) ESR1ESR2GAAMEN1KMT2A
SCHEMBL4661376 0.85 ESR1 (0.42) ESR1ESR2GAAMEN1KMT2A
SCHEMBL4662668 0.84 ESR1 (0.41) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL4661523 0.84 ESR1 (0.41) ESR1ESR2GAAMAPTMEN1
SCHEMBL4661527 0.84 ESR1 (0.41) ESR1ESR2GAAMAPTMEN1
SCHEMBL4662666 0.84 ESR1 (0.41) ESR1ESR2MAPTMEN1KMT2A
SCHEMBL4662608 0.84 L3MBTL1 (0.42) ESR1ESR2CTSSGAAMAPT
SCHEMBL6408930 0.84 L3MBTL1 (0.42) ESR1ESR2CTSSGAAMAPT

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 8 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
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP 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
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP 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 (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-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 ESR1 4557/4885ESR2 1987/4885CTSL 2484/4885

“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.