SCHEMBL6225902

SCHEMBL6225902

C#CCOc1ccc(CCNC(=O)[C@@H](OC)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.46
GRK2 P25098 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL6225908 1.00 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6233243 0.93 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231481 0.93 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231469 0.92 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231466 0.92 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6816223 0.91 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6230935 0.90 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL1551918 0.90 GAA (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL6230531 0.90 MAPT (0.45) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6230529 0.90 MAPT (0.45) MAPTALDH1A1POLBGRK2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444197-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-30 EP claimed
US-20050026785-A1 Novel phenyl-propargylether derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-03 US claimed
EP-1444197-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 EP claimed
WO-2003041728-A9 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO claimed
WO-2003041728-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO claimed
EP-1444197-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-30 EP disclosed
US-20050026785-A1 Novel phenyl-propargylether derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-03 US disclosed
EP-1444197-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2003041728-A9 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO disclosed
WO-2003041728-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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-20050026785-A1 Novel phenyl-propargylether derivatives OR10J3, PRXL2A, OSR1 MAPT 4672/4885ALDH1A1 1556/4885POLB 2138/4885

“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.