SCHEMBL11903329

SCHEMBL11903329

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.33
▸ PTGES O14684 7/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PRKAG1 P54619 3/20 0.32
▸ PRKAA1 Q13131 3/20 0.32
▸ PRKAB1 Q9Y478 3/20 0.32
▸ PRKAB2 O43741 2/20 0.32
▸ PRKAA2 P54646 2/20 0.32
▸ PRKAG3 Q9UGI9 2/20 0.32
▸ PRKAG2 Q9UGJ0 2/20 0.32
▸ KMO O15229 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31

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 0.91 NR4A2 (0.36) MEP1BKDM4EPRKAG1PRKAA1PRKAB1
SCHEMBL11902294 0.89 PTGES (0.33) MEP1BPTGESPRKAG1PRKAA1PRKAB1
SCHEMBL11903085 0.88 MAPT (0.34) PTGESKDM4EALDH1A1MAPK1MAPT
SCHEMBL1656974 0.88 GLP1R (0.35) MEP1BALDH1A1HPGDMAPK1TP53
SCHEMBL11902825 0.87 KMO (0.43) MEP1BKDM4EPRKAG1PRKAA1PRKAB1
SCHEMBL11903160 0.86 SMN1; SMN2 (0.32) PTGESPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL11903206 0.85 PKM (0.35) MEP1BPTGESKDM4EPRKAG1PRKAA1
SCHEMBL11903307 0.85 PTGES (0.32) MEP1BPTGESMAPK1
SCHEMBL11902200 0.84 MEP1B (0.34) MEP1BKMOTAS1R3TAS1R1
SCHEMBL11902297 0.84 PTGES (0.36) MEP1BPTGESALDH1A1

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 3 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

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 MEP1B 2906/4885PTGES 1440/4885KDM4E 3599/4885

“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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