SCHEMBL6233243

SCHEMBL6233243

C#CCOc1ccc(CCNC(=O)C(OCC#C)c2ccc(Br)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.46
GRK2 P25098 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
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
SCHEMBL6231481 1.00 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6230955 0.95 MAPT (0.45) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6230951 0.95 MAPT (0.45) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231466 0.94 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6231469 0.94 MAPT (0.46) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6225902 0.93 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6225908 0.93 MAPT (0.48) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6229042 0.93 MAPT (0.44) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6229035 0.93 MAPT (0.44) MAPTALDH1A1POLBGRK2CA12
SCHEMBL6230529 0.93 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 20 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
EP-1444197-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 EP claimed
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP claimed
WO-2003041728-A9 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO claimed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US claimed
WO-2003041728-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO claimed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP claimed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 WO claimed
US-20120190542-A1 FUNGICIDAL MIXTURES AND THEIR USE SYNGENTA CROP PROTECTION, LLC (US) 2012-07-26 US disclosed
EP-1567012-A2 FUNGICIDAL COMBINATIONS FOR CROP POTECTION Syngenta Participations AG (CH) 2005-08-31 EP disclosed
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
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP disclosed
WO-2004049804-A2 FUNGICIDAL COMBINATIONS FOR CROP POTECTION SYNGENTA PARTICIPATIONS AG (CH) 2004-06-17 WO disclosed
WO-2003041728-A9 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO disclosed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US disclosed
WO-2003041728-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO disclosed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP disclosed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 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 (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-20120190542-A1 FUNGICIDAL MIXTURES AND THEIR USE MLN, P2RY13, P2RX2 MAPT 4067/4885ALDH1A1 3060/4885POLB 4736/4885
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.