SCHEMBL6227635

SCHEMBL6227635

C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(F)c(Cl)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CNR1 P21554 1/20 0.42
EGFR P00533 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CTSD P07339 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
SCHEMBL6227639 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6229410 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6229402 0.94 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6229104 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6229095 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6231821 0.92 MEN1 (0.44) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL6231830 0.92 MEN1 (0.44) ALDH1A1LMNAGAAMEN1KMT2A
Mandipropamid SCHEMBL675075 0.90 GAA (0.52) ALDH1A1SMN1; SMN2LMNAGAAMEN1
Mandipropamid SCHEMBL29379242 0.90 GAA (0.52) ALDH1A1SMN1; SMN2LMNAGAAMEN1
Mandipropamid SCHEMBL22338 0.90 GAA (0.52) ALDH1A1SMN1; SMN2LMNAGAAMEN1

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 ALDH1A1 1556/4885SMN1; SMN2 4752/4885LMNA 3178/4885

“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.