SCHEMBL709625

SCHEMBL709625

CC(C)=C(C(=O)O)c1ccccc1Oc1cc(Cl)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMO O15229 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL27075764 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL709626 0.90 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL28765809 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL203423 0.87 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL203795 0.86 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL203516 0.86 RAF1 (0.39) SMN1; SMN2MEN1KMT2AHTTLMNA
SCHEMBL4306278 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8522022 0.84 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL248232 0.82 MEN1 (0.36) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL205371 0.82 PIN1 (0.41) ALDH1A1SMN1; SMN2NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060917-A1 PROCESS FOR THE PREPARATION OF AZOXYSTROBIN GSP CROP SCIENCE PVT. LTD, (IN) 2017-04-13 WO disclosed
EP-2102174-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYNOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES ADAMA MAKHTESHIM LTD (IL) 2017-03-08 EP disclosed
US-8552185-B2 Preparation of azoxystrobin SYNGENTA LIMITED (GB) 2013-10-08 US disclosed
US-20130261303-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 2013-10-03 US disclosed
US-8471013-B2 Process for the preparation of substituted cyanophenoxy-pyrimidinyloxy-phenyl acrylate derivatives MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 2013-06-25 US disclosed
US-8124761-B2 Coupling of methyl (E)-2-{2-[6-chloropyrimidin-4-yloxy]phenyl}-3-methoxyacrylate with 2-cyanophenyl in DMF with 2 mol % DABCO; significantly smaller amounts of this relatively expensive catalyst may be used without compromising the yield SYNGENTA LIMITED (GB) 2012-02-28 US disclosed
EP-2308825-A1 Process for the preparation of an intermediate for azoxystrobin Syngenta Limited (GB) 2011-04-13 EP disclosed
US-20100036124-A1 PREPARATION OF AZOXYSTROBIN SYNGENTA LIMITED (GB) 2010-02-11 US disclosed
US-20090281316-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 2009-11-12 US disclosed
EP-2102174-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYNOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 2009-09-23 EP disclosed
WO-2008075341-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYNOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2008-06-26 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 (3 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-20100036124-A1 PREPARATION OF AZOXYSTROBIN CYP51A1, CYP1B1, CYP2D6 ALDH1A1 266/4885SMN1; SMN2 4281/4885MEN1 807/4885
US-20090281316-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES TYR, PAH, ACR ALDH1A1 962/4885SMN1; SMN2 4729/4885MEN1 4792/4885
US-20130261303-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED CYANOPHENOXY-PYRIMIDINYLOXY-PHENYL ACRYLATE DERIVATIVES TYR, PAH, ACR ALDH1A1 963/4885SMN1; SMN2 4725/4885MEN1 4790/4885

“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.