SCHEMBL30792811

SCHEMBL30792811

COCC(C)OC(=O)COc1ccccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 5/20 0.35
BCAT2 O15382 3/20 0.35
PPOX P50336 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
DHODH Q02127 7/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL27044937 1.00 BCAT1 (0.35) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL3850293 0.89 BCAT1 (0.39) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL25291362 0.88 PPOX (0.37) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL30841843 0.88 PPOX (0.37) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL25302151 0.88 BCAT1 (0.39) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL25424544 0.87 L3MBTL1 (0.35) BCAT1BCAT2MEN1LMNAKMT2A
SCHEMBL13843249 0.86 PPOX (0.46) BCAT1BCAT2PPOXMEN1LMNA
SCHEMBL3245244 0.85 BCAT1 (0.39) BCAT1BCAT2MEN1LMNAKMT2A
SCHEMBL29452779 0.85 BCAT1 (0.39) BCAT1BCAT2MEN1LMNAKMT2A
SCHEMBL27044947 0.85 BCAT1 (0.39) BCAT1BCAT2PPOXMEN1LMNA

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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM BCAT1 352/4885BCAT2 411/4885PPOX 74/4885

“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.