SCHEMBL6740323

SCHEMBL6740323

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSS P25774 1/20 0.30
APLNR P35414 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL14593930 0.84 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL28718237 0.84 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL17449756 0.83 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL934150 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL13847625 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL24719148 0.83 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL12236056 0.83 CTSK (0.38) NOS1NOS3NOS2CA1CA2
SCHEMBL6740257 0.82 CA1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL6738187 0.81 NOS1 (0.36) NOS1NOS3NOS2CA1CA2
SCHEMBL6068166 0.81 GABRR1 (0.50) NOS1NOS3NOS2CA1CA2

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 7 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-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
EP-1301483-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-16 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
WO-2002006233-A1 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-24 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 NOS1 3695/4885NOS3 3106/4885NOS2 4350/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 NOS1 2596/4885NOS3 2619/4885NOS2 3192/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 NOS1 4589/4885NOS3 4742/4885NOS2 4769/4885

“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.