SCHEMBL6232311

SCHEMBL6232311

C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 4/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
MAPT P10636 1/20 0.43
SLC2A1 P11166 1/20 0.43
CTSD P07339 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
SCHEMBL6232315 1.00 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL6230786 0.94 KMT2A (0.48) SMN1; SMN2ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL6231553 0.94 KMT2A (0.48) SMN1; SMN2ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL6228949 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL6230872 0.90 LMNA (0.53) ALDH1A1POLBKMT2ALMNAPKM
SCHEMBL6228605 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL6230875 0.90 LMNA (0.53) ALDH1A1POLBKMT2ALMNAPKM
Mandipropamid SCHEMBL675075 0.89 GAA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL6233243 0.89 MAPT (0.48) SMN1; SMN2ALDH1A1POLBLMNAMAPT
SCHEMBL6232313 0.89 KMT2A (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA

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 7 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-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 SMN1; SMN2 4752/4885ALDH1A1 1556/4885MTNR1A 1647/4885

“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.