SCHEMBL11903213

SCHEMBL11903213

COc1c(Cl)ccc(B(O)OCCCO)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TUBB1 Q9H4B7 1/20 0.31
TSHR P16473 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
SCHEMBL15065240 0.93 MEP1B (0.38) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15083039 0.81 ALDH1A1 (0.41) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL718784 0.77 ALDH1A1 (0.43) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL29951760 0.77 ALDH1A1 (0.43) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL11903215 0.76 MEP1B (0.34) MEP1BALDH1A1KDM4EHSD17B10
SCHEMBL14665871 0.75 ALDH1A1 (0.41) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL19209983 0.71 MEP1B (0.34) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL14665872 0.70 ALDH1A1 (0.38) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL5953023 0.67 PTPN1 (0.31)
SCHEMBL15331758 0.67 L3MBTL1 (0.33) MEP1BTAS1R3TAS1R1TAS1R2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2906/4885TAS1R3 4361/4885TAS1R1 4355/4885

“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.