SCHEMBL6742890

SCHEMBL6742890

CCOC(=O)C(C)CCS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL14616914 0.85 ALDH1A1 (0.48) CPB2ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL6735580 0.83 SMN1; SMN2 (0.38) ALDH1A1LMNAHSD17B10SMN1; SMN2KMT2A
SCHEMBL28254365 0.82 SMN1; SMN2 (0.43) CPB2ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL8245481 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL818188 0.81
SCHEMBL13483255 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL28182020 0.81 ALDH1A1 (0.43) CPB2ALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL113543 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP2C19CYP3A4LMNAHSD17B10
SCHEMBL16518684 0.81
SCHEMBL6741137 0.80 TSHR (0.42) ALDH1A1CYP3A4LMNAHSD17B10SMN1; SMN2

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 11 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
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
EP-1244635-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLE BASF AKTIENGESELLSCHAFT (DE) 2002-10-02 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
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
WO-2001049668-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-12 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 CPB2 3354/4885ALDH1A1 142/4885CYP2C19 506/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 CPB2 2635/4885ALDH1A1 171/4885CYP2C19 572/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 CPB2 1962/4885ALDH1A1 15/4885CYP2C19 148/4885

“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.