SCHEMBL6741048

SCHEMBL6741048

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
FAAH O00519 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.30
GABRA1 P14867 3/20 0.30
GABRG2 P18507 3/20 0.30
GABRB3 P28472 3/20 0.30
GABRA5 P31644 3/20 0.30
GABRA3 P34903 3/20 0.30
GABRA2 P47869 3/20 0.30
GABRA6 Q16445 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
SCHEMBL7223633 0.89 MAPT (0.42) MAPTCA2CA1FAAHUSP2
SCHEMBL28303439 0.86 MAPT (0.41) MAPTCA2CA1FAAHUSP2
SCHEMBL6740254 0.84 TSHR (0.39) CA2CA1USP2TSHRMAPK1
SCHEMBL6741055 0.83 MAPT (0.39) MAPTCA2CA1FAAHUSP2
SCHEMBL6738640 0.81 MAPT (0.38) MAPTCA2CA1FAAHUSP2
SCHEMBL7219198 0.81 CA2 (0.47) MAPTCA2CA1FAAHTSHR
SCHEMBL6738638 0.81 MAPT (0.38) MAPTCA2CA1FAAHUSP2
SCHEMBL6741818 0.80 MAPT (0.40) MAPTFAAHTSHR
SCHEMBL7223715 0.78 CHRM1 (0.44) MAPTCA2CA1FAAHTSHR
SCHEMBL7217652 0.78 CA2 (0.63) MAPTCA2CA1FAAHUSP2

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 12 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-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
EP-1140847-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 2002-12-18 EP disclosed
US-6448205-B1 FOR THE DESICCATION AND/OR DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
US-6432880-B1 APPLYING TO PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 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 MAPT 2566/4885CA2 511/4885CA1 2224/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 MAPT 3418/4885CA2 220/4885CA1 1441/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 MAPT 4036/4885CA2 1233/4885CA1 3587/4885

“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.