SCHEMBL5334908

SCHEMBL5334908

COc1cc(C2CCCCC2N)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
NR3C1 P04150 2/20 0.51
QDPR P09417 2/20 0.51
TSHR P16473 1/20 0.51
ALOX5 P09917 1/20 0.50
PTPN1 P18031 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
KDM1A O60341 1/20 0.45

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
SCHEMBL5334911 1.00 CA2 (0.51) CA2NR3C1QDPRTSHRALOX5
SCHEMBL2826447 0.86 KDM1A (0.51) NR3C1ALDH1A1GAAKDM1A
SCHEMBL1380700 0.86 KDM1A (0.51) NR3C1ALDH1A1GAAKDM1A
SCHEMBL4260439 0.86 KDM1A (0.51) NR3C1ALDH1A1GAAKDM1A
SCHEMBL1380697 0.86 KDM1A (0.51) NR3C1ALDH1A1GAAKDM1A
SCHEMBL4263152 0.79 KDM1A (0.44) TSHRALDH1A1KDM1A
SCHEMBL4259945 0.78 KDM1A (0.51) ALDH1A1MEN1GAAKMT2AKDM1A
SCHEMBL4259946 0.78 KDM1A (0.51) ALDH1A1MEN1GAAKMT2AKDM1A
SCHEMBL5054677 0.78 KDM1A (0.51) ALDH1A1MEN1GAAKMT2AKDM1A
SCHEMBL8864091 0.78 QDPR (0.69) CA2NR3C1QDPRTSHRALOX5

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
US-7166746-B2 N-bisaryl- and n-aryl-cycloakylidenyl-αhydroxy-and α-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. (US) 2007-01-23 US disclosed
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides SYNGENTA CROP PROTECTION, INC. 2005-11-03 US disclosed
EP-1534664-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES Syngenta Participations AG (CH) 2005-06-01 EP disclosed
US-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides SYNGENTA CROP PROTECTION, INC. 2004-10-28 US disclosed
CN-1520398-A Novel N-isaryl-and N-aryl-cycloalkylidenyl-G(a)-sulfin-and G(a)-sulfonamino acid amides �����ɷ� 2004-08-11 CN disclosed
EP-1399418-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2004-03-24 EP disclosed
WO-2004011417-A1 N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-05 WO disclosed
WO-2003002525-A1 NOVEL N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-$G(a)-SULFIN- AND $G(a)-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-01-09 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 (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-20040214721-A1 Novel n-bisaryl- and n-aryl-cycloalkylidenyl-alpha-sulfin- and alpha-sulfonamino acid amides ARSA, SFN, HCCS CA2 514/4885NR3C1 912/4885QDPR 3242/4885
US-20050245607-A1 N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides CBR3, CBR1, AKR1C3 CA2 1478/4885NR3C1 1186/4885QDPR 3364/4885

“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.