SCHEMBL6740344

SCHEMBL6740344

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL6741976 0.81 TSHR (0.42) TSHRLMNACA12CA1CA2
SCHEMBL6734604 0.81 MAPT (0.41)
SCHEMBL3912864 0.79 LMNA (0.42) TSHRLMNACA1
SCHEMBL18270563 0.79 TSHR (0.40) TSHRLMNAHCAR2
SCHEMBL6741283 0.79
SCHEMBL6738194 0.79 TSHR (0.40) TSHRLMNAHCAR2
SCHEMBL6738198 0.79 TSHR (0.40) TSHRLMNAHCAR2
SCHEMBL18270561 0.79 LMNA (0.42) TSHRLMNACA1
SCHEMBL18270572 0.79 LMNA (0.42) TSHRLMNACA1
SCHEMBL18270601 0.79 TSHR (0.40) TSHRLMNAHCAR2

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 3 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

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 4564/4885CA12 3757/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 TSHR 1003/4885LMNA 4573/4885CA12 3875/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885LMNA 3218/4885CA12 3938/4885

“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.