SCHEMBL6742886

SCHEMBL6742886

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 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
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 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
CPB2 Q96IY4 1/20 0.34

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) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA
SCHEMBL6735576 0.83 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNACHRM1KMT2A
SCHEMBL5665924 0.81
SCHEMBL13483255 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA
SCHEMBL28182020 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA
SCHEMBL113543 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA
SCHEMBL8245481 0.81 SMN1; SMN2 (0.45) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA
SCHEMBL6741133 0.80 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10LMNAHPGD
SCHEMBL6738201 0.79 ALDH1A1 (0.47) ALDH1A1CYP2C19LMNAHPGDNPC1
SCHEMBL7843927 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10CYP2C19LMNA

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 ALDH1A1 142/4885CYP3A4 307/4885HSD17B10 1665/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885CYP3A4 103/4885HSD17B10 1910/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885CYP3A4 63/4885HSD17B10 233/4885

“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.