SCHEMBL6743393

SCHEMBL6743393

CC(C)OC(=O)C(C)C[O]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ADRA1A P35348 1/20 0.30
PDE4D Q08499 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
SCHEMBL16658943 0.82 TSHR (0.42) TSHRLMNAHCAR2CA12CA1
SCHEMBL6738194 0.80 TSHR (0.40) TSHRLMNAHCAR2
SCHEMBL17617132 0.79 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL4044174 0.79 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL1866475 0.79 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL13541326 0.79 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL580557 0.79 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL6741818 0.78 MAPT (0.40) TSHR
SCHEMBL18502991 0.77 TSHR (0.42) TSHRLMNAHCAR2CA12CA1
SCHEMBL18502989 0.77 TSHR (0.42) TSHRLMNAHCAR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO 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 (3 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 TSHR 762/4885LMNA 4564/4885HCAR2 2345/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 TSHR 1003/4885LMNA 4573/4885HCAR2 1423/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885LMNA 3218/4885HCAR2 704/4885

“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.