SCHEMBL6230786

SCHEMBL6230786

C#CCOc1ccc(CCNC(=O)C(OCC#C)c2ccccc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 4/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CTSD P07339 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
SCHEMBL6231553 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL6232315 0.94 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL6232311 0.94 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL6230875 0.91 LMNA (0.53) KMT2AALDH1A1MAPTGAA
SCHEMBL6230872 0.91 LMNA (0.53) KMT2AALDH1A1MAPTGAA
SCHEMBL6228605 0.91 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BSMN1; SMN2MAPT
SCHEMBL6228949 0.91 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BSMN1; SMN2MAPT
SCHEMBL6233243 0.90 MAPT (0.48) ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL6232313 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
Mandipropamid SCHEMBL675075 0.90 GAA (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014060177-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-04-24 WO 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
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US 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 1557/4885ALDH1A1 1556/4885

“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.