SCHEMBL6738632

SCHEMBL6738632

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
CPB2 Q96IY4 2/20 0.40
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPA1 O75762 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 4/20 0.36
PPARG P37231 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL284647 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL28145904 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
Ammonia Solution, Strong SCHEMBL336488 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL21981164 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL29207090 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL4957929 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
Hydrochloric Acid SCHEMBL27554398 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL28904001 0.84 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL21052387 0.82 CA2 (0.50) ALDH1A1LMNAHSD17B10MEN1NPC1
SCHEMBL6739055 0.81 CA2 (0.41) ALDH1A1LMNACA1CA2USP2

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 142/4885LMNA 4564/4885HSD17B10 1665/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 ALDH1A1 171/4885LMNA 4573/4885HSD17B10 1910/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 ALDH1A1 15/4885LMNA 3218/4885HSD17B10 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.