SCHEMBL11902825

SCHEMBL11902825

COc1c(Cl)ccc(-c2cc3[nH]cc(C)c3c(C(=O)O)n2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.43
▸ PRKAG1 P54619 11/20 0.38
▸ PRKAA1 Q13131 11/20 0.38
▸ PRKAB1 Q9Y478 11/20 0.38
▸ PRKAB2 O43741 9/20 0.38
▸ PRKAA2 P54646 9/20 0.38
▸ PRKAG3 Q9UGI9 9/20 0.38
▸ PRKAG2 Q9UGJ0 9/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CDK9 P50750 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ MEP1B Q16820 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33

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
SCHEMBL1654723 0.92 NR4A2 (0.36) KMOPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL1656974 0.88 GLP1R (0.35) ALDH1A1MEP1B
SCHEMBL11903329 0.87 MEP1B (0.33) KMOPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL11902585 0.85 DHODH (0.39) HSD17B10
SCHEMBL11913426 0.85 AMY1A (0.32) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11903304 0.84 ABCB11 (0.34) KDM4EALDH1A1MEP1B
SCHEMBL11902297 0.84 PTGES (0.36) ALDH1A1MEP1B
SCHEMBL11903206 0.84 PKM (0.35) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11913427 0.83 SMN1; SMN2 (0.37) KDM4EALDH1A1
SCHEMBL11902294 0.83 PTGES (0.33) PRKAG1PRKAA1PRKAB1MEP1B

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO KMO 89/4885PRKAG1 2566/4885PRKAA1 680/4885

“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.

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