SCHEMBL1276149

SCHEMBL1276149

C=CCOc1cccc(C2OC=CO2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 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 0.79 TP53 (0.49) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL5346832 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNAKMT2AALDH1A1TP53
SCHEMBL1520719 0.77 MEN1 (0.50) CA12CA1CA9SMN1; SMN2MEN1
SCHEMBL984529 0.76 KMT2A (0.46) CA12CA1CA9NPSR1SMN1; SMN2
SCHEMBL1276629 0.76 MAOB (0.46) CA12CA1CA9SMN1; SMN2ALDH1A1
SCHEMBL5725738 0.76 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1KDM4ENPC1
SCHEMBL983385 0.76 TLR4 (0.45) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL767828 0.76 CYP3A4 (0.39) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR
SCHEMBL7975035 0.75 ALDH1A1 (0.70) SMN1; SMN2MEN1LMNAMAPTKMT2A
SCHEMBL3078804 0.75 TSHR (0.40) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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
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-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-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

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 CA12 3741/4885CA1 1918/4885CA9 1603/4885

“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.