SCHEMBL6232313

SCHEMBL6232313

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.44
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
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ECE1 P42892 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL6228302 1.00 KMT2A (0.48) KMT2AMEN1ATMALDH1A1TSHR
SCHEMBL6230872 0.91 LMNA (0.53) KMT2AALDH1A1CA12CA1CA2
SCHEMBL6228605 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6230875 0.91 LMNA (0.53) KMT2AALDH1A1CA12CA1CA2
SCHEMBL6228949 0.91 ALDH1A1 (0.45) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6231830 0.91 MEN1 (0.44) KMT2AMEN1ATMALDH1A1CA12
SCHEMBL6231821 0.91 MEN1 (0.44) KMT2AMEN1ATMALDH1A1CA12
SCHEMBL6231481 0.91 MAPT (0.48) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6233243 0.91 MAPT (0.48) ALDH1A1TSHRCA12CA1CA2
Mandipropamid SCHEMBL29379242 0.91 GAA (0.52) KMT2AMEN1ALDH1A1CA12CA1

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 17 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
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-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 (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 KMT2A 2350/4885MEN1 1557/4885ATM 2368/4885

“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.