SCHEMBL3228472

SCHEMBL3228472

Nc1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP3A4 P08684 3/20 0.36
CASP1 P29466 2/20 0.36
RECQL P46063 1/20 0.36
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL15427835 0.75 PTK2 (0.37) PTK2
SCHEMBL4406720 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CA1CA2
SCHEMBL10070929 0.69 CYP3A4 (0.47) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL853286 0.69 CHRNB4 (0.40) MEN1KMT2A
SCHEMBL18682060 0.69 CYP3A4 (0.47) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL11527764 0.68 CHRNB2 (0.53) CHRNB2CHRNA4CA1CA2TSHR
SCHEMBL451775 0.68 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL23567637 0.67 CHRNB2 (0.61) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL6937141 0.67 CHRNB2 (0.61) CHRNB2CHRNA4CYP3A4CASP1RECQL
SCHEMBL11150172 0.67 CHRNB2 (0.45) CHRNB2CHRNA4CYP3A4CASP1RECQL

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-20100256417-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINDES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
EP-2066617-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND Syngeta Participations AG (CH) 2009-06-10 EP disclosed
EP-2014642-A1 Process for the production of amines Syngeta Participations AG (CH) 2009-01-14 EP disclosed
WO-2008017443-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 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-20100256417-A1 PROCESS FOR THE PRODUCTION OF AROMATIC AMINDES IN THE PRESENCE OF A PALLADIUM COMPLEX COMPRISING A FERROCENYL BIPHOSPHINE LIGAND AOC1, C5, C9 CHRNB2 4409/4885CHRNA4 3600/4885CYP3A4 679/4885

“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.