SCHEMBL11903160

SCHEMBL11903160

CCCCOCC(C)OC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc2[nH]cc(C)c12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGES O14684 8/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRKAB2 O43741 2/20 0.31
▸ PRKAG1 P54619 2/20 0.31
▸ PRKAA2 P54646 2/20 0.31
▸ PRKAA1 Q13131 2/20 0.31
▸ PRKAG3 Q9UGI9 2/20 0.31
▸ PRKAG2 Q9UGJ0 2/20 0.31
▸ PRKAB1 Q9Y478 2/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL11903085 0.90 MAPT (0.34) SMN1; SMN2PTGESALDH1A1KMT2AMAPK1
SCHEMBL11903327 0.88 SMN1; SMN2 (0.33) SMN1; SMN2MEN1ALDH1A1HPGDKMT2A
SCHEMBL11913427 0.87 SMN1; SMN2 (0.37) SMN1; SMN2PTGESALDH1A1HPGDCNR1
SCHEMBL11903329 0.86 MEP1B (0.33) PTGESALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL11902294 0.85 PTGES (0.33) PTGESPRKAG1PRKAA1PRKAB1MAPK1
SCHEMBL1656974 0.84 GLP1R (0.35) SMN1; SMN2MEN1ALDH1A1HPGDKMT2A
SCHEMBL1654723 0.84 NR4A2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11902297 0.82 PTGES (0.36) SMN1; SMN2PTGESALDH1A1
SCHEMBL11903304 0.80 ABCB11 (0.34) SMN1; SMN2PTGESALDH1A1MAPK1
SCHEMBL11902825 0.80 KMO (0.43) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1

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 2 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

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 SMN1; SMN2 3709/4885PTGES 1440/4885MEN1 4608/4885

“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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