SCHEMBL6745962

SCHEMBL6745962

CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(OCc2ccccc2C#N)ncn1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SGMS2 Q8NHU3 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
MET P08581 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL6745968 1.00 ALDH1A1 (0.42) ALDH1A1SGMS2TSHRKDM4ETRPM8
Azoxystrobin SCHEMBL55087 0.90 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL29362394 0.90 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL4447188 0.90 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL4113006 0.90 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL18823 0.90 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL17701154 0.89 MAP4K4 (0.38) ALDH1A1TSHR
Azoxystrobin SCHEMBL17701140 0.87 PIN1 (0.37) ALDH1A1TSHR
Azoxystrobin SCHEMBL4938235 0.85 ALDH1A1 (0.33) ALDH1A1SGMS2TSHR
Azoxystrobin SCHEMBL6424745 0.84 PIN1 (0.36) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777412-B2 PYRIMIDIN-4-YLOXY)PHENYL)-3-METHOXYPROPENOATE DERIVATIVES SYNGENTA LIMITED (GB) 2004-08-17 US disclosed
US-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides CLOUGH JOHN MARTIN (GB) 2004-05-13 US disclosed
US-6613773-B2 Pyrimidinyloxyphenyl-3-alkoxypropenoates derivatives SYNGENTA LIMITED (GB) 2003-09-02 US disclosed
US-20030060626-A1 Fungicides SYNGENTA LIMITED (GB) 2003-03-27 US 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-20040092746-A1 Pyrimidinyloxyphenyl-3-alkoxypropenoate derivatives as pesticides DDT, SQOR, TH ALDH1A1 482/4885SGMS2 2586/4885TSHR 946/4885
US-20030060626-A1 Fungicides CYP51A1, CYP1A1, CYP1A2 ALDH1A1 301/4885SGMS2 2438/4885TSHR 2595/4885

“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.