SCHEMBL716430

SCHEMBL716430

C1CCC(CCNCCC2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
EPHX1 P07099 2/20 0.47
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.45
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
KDM1A O60341 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4660951 0.88 CYP1A2 (0.54) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL8944543 0.88 CYP1A2 (0.54) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL1615543 0.88 SIGMAR1 (0.56) SIGMAR1EPHX1CYP1A2BCHECHRM2
SCHEMBL4470765 0.88 SIGMAR1 (0.41) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL630159 0.88 SIGMAR1 (0.41) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL19841305 0.88 SIGMAR1 (0.41) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL3681785 0.88 EPHX1 (0.44) SIGMAR1EPHX1CYP1A2BCHEADH1B
SCHEMBL24500037 0.87 ADH1B (0.48) SIGMAR1EPHX1CYP1A2ADH1BADH1C
SCHEMBL14606660 0.87 ADH1B (0.48) SIGMAR1EPHX1CYP1A2ADH1BADH1C
Hydrochloric Acid SCHEMBL7862878 0.86 SIGMAR1 (0.39) SIGMAR1EPHX1CYP1A2BCHEADH1B

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-2076498-B1 PREPARATION OF AZOXYSTROBIN SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-8552185-B2 Preparation of azoxystrobin SYNGENTA LIMITED (GB) 2013-10-08 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
US-20100036124-A1 PREPARATION OF AZOXYSTROBIN SYNGENTA LIMITED (GB) 2010-02-11 US disclosed
US-20080214587-A1 Processes For the Preparation of Azoxystrobin Using Dabco as a Catalyst and Novel Intermediates Used in the Processes SYNGENTA CROP PROTECTION, INC. (US) 2008-09-04 US disclosed
US-5177069-A Cholecystokinin inhibitor, pancreatic antisecretory agent KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-01-05 US disclosed
EP-0433064-A1 Naphthylsulfonylalkanoic acid compounds Kissei Pharmaceutical Co., Ltd. (JP) 1991-06-19 EP 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 (2 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 SIGMAR1 2982/4885EPHX1 1598/4885CYP1A2 4/4885
US-20080214587-A1 Processes For the Preparation of Azoxystrobin Using Dabco as a Catalyst and Novel Intermediates Used in the Processes DDT, AOC3, DAO SIGMAR1 2893/4885EPHX1 1790/4885CYP1A2 85/4885

“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.