SCHEMBL1276629

SCHEMBL1276629

C#CCOc1cccc(C2OC=CO2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAOA P21397 5/20 0.42
CA12 O43570 7/20 0.40
CA9 Q16790 7/20 0.40
CA4 P22748 6/20 0.40
CA1 P00915 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2B6 P20813 1/20 0.40
GSTP1 P09211 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
GMPS P49915 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 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
SCHEMBL984346 0.80 TP53 (0.49) CYP1A2ALDH1A1TSHRTP53CYP3A4
SCHEMBL5346832 0.79 SMN1; SMN2 (0.39) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL13338101 0.78 MAOB (0.59) MAOBMAOACA12CA9CA4
SCHEMBL5725738 0.77 SMN1; SMN2 (0.38) MAOBMAOAALDH1A1TSHRTP53
SCHEMBL767828 0.77 CYP3A4 (0.39) MAOBALDH1A1TSHRTP53CYP3A4
SCHEMBL983385 0.77 TLR4 (0.45) MAOBMAOAALDH1A1TSHRTP53
SCHEMBL984529 0.77 KMT2A (0.46) CA12CA9CA1CYP1A2ALDH1A1
SCHEMBL1276149 0.76 CA12 (0.39) CA12CA9CA1ALDH1A1TSHR
SCHEMBL981631 0.76 ALDH1A1 (0.40) CYP1A2ALDH1A1TSHRTP53CYP3A4
SCHEMBL7975035 0.76 ALDH1A1 (0.70) CYP1A2ALDH1A1TSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467020-B1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA SPA (IT) 2014-09-24 EP claimed
US-8809389-B2 Substituted alkynyl phenoxy compounds as new synergists in pesticidal compositions ENDURA S.P.A. (IT) 2014-08-19 US claimed
US-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ROTHAMSTED RESEARCH LTD. 2012-08-16 US claimed
EP-2467020-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS Endura S.p.a. (IT) 2012-06-27 EP claimed
EP-2289889-A1 Substituted alkynyl phenoxy compounds and their uses Endura S.p.a. (IT) 2011-03-02 EP claimed
WO-2011020848-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA S.P.A. (IT) 2011-02-24 WO claimed
CN-102480948-B Substituted alkynyl phenoxy compounds as novel synergists in pesticidal compositions ENDURA S.P.A. (IT) 2014-10-29 CN disclosed
EP-2467020-B1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA SPA (IT) 2014-09-24 EP disclosed
US-8809389-B2 Substituted alkynyl phenoxy compounds as new synergists in pesticidal compositions ENDURA S.P.A. (IT) 2014-08-19 US disclosed
US-8809389-B2 Substituted alkynyl phenoxy compounds as new synergists in pesticidal compositions ENDURA S.P.A. (IT) 2014-08-19 US disclosed
US-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ROTHAMSTED RESEARCH LTD. 2012-08-16 US disclosed
US-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ROTHAMSTED RESEARCH LTD. 2012-08-16 US disclosed
EP-2467020-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS Endura S.p.a. (IT) 2012-06-27 EP disclosed
EP-2467020-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS Endura S.p.a. (IT) 2012-06-27 EP disclosed
CN-102480948-A Substituted alkynyl phenoxy compounds as novel synergists in pesticidal compositions ENDURA SPA 2012-05-30 CN disclosed
EP-2289889-A1 Substituted alkynyl phenoxy compounds and their uses Endura S.p.a. (IT) 2011-03-02 EP disclosed
EP-2289889-A1 Substituted alkynyl phenoxy compounds and their uses Endura S.p.a. (IT) 2011-03-02 EP disclosed
WO-2011020848-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA S.P.A. (IT) 2011-02-24 WO disclosed
WO-2011020848-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS ENDURA S.P.A. (IT) 2011-02-24 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-20120208874-A1 SUBSTITUTED ALKYNYL PHENOXY COMPOUNDS AS NEW SYNERGISTS IN PESTICIDAL COMPOSITIONS DDT, PYM1, CHRM1 MAOB 564/4885MAOA 849/4885CA12 3741/4885

“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.