SCHEMBL11918016

SCHEMBL11918016

COc1c(I)ccc(-c2cc3[nH]cc(C)c3c(C)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ PDGFRB P09619 1/20 0.30
▸ AMY1A P0DUB6 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL11913426 0.86 AMY1A (0.32) ALOX5APFEN1HSP90AB1PDGFRBAMY1A
SCHEMBL11918154 0.85 ALOX5AP (0.31) ALOX5APFEN1PDGFRB
SCHEMBL11918051 0.77 DYRK1A (0.38) HSP90AB1DYRK1A
SCHEMBL11918078 0.72 ALOX5AP (0.31) ALOX5APFEN1PDGFRB
SCHEMBL11902825 0.71 KMO (0.43) DYRK1A
SCHEMBL1654723 0.71 NR4A2 (0.36) PDGFRB
SCHEMBL11918057 0.69 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL17452532 0.69 EGFR (0.36) —
SCHEMBL1656974 0.69 GLP1R (0.35) —
SCHEMBL11903329 0.68 MEP1B (0.33) —

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 ALOX5AP 996/4885FEN1 2445/4885HSP90AB1 607/4885

“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.

Send feedback