SCHEMBL6740254

SCHEMBL6740254

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CA2 P00918 3/20 0.36
LMNA P02545 2/20 0.36
CA1 P00915 2/20 0.36
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
BIRC2 Q13490 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL684789 0.88 TSHR (0.43) TSHRCA2LMNACA1USP2
SCHEMBL6741048 0.84 MAPT (0.39) TSHRCA2CA1USP2MAPK1
SCHEMBL6740256 0.82 TSHR (0.39) TSHRCA2LMNACA1USP2
SCHEMBL6735619 0.80 TSHR (0.37) TSHRCA2LMNACA1USP2
SCHEMBL7217371 0.80 CA2 (0.48) TSHRCA2LMNACA1ALOX15
SCHEMBL6735616 0.80 TSHR (0.37) TSHRCA2LMNACA1USP2
SCHEMBL27513922 0.78 LMNA (0.42) TSHRCA2LMNACA1USP2
SCHEMBL19746179 0.78 MMP2 (0.36) TSHRCA2LMNACA1ALOX15
SCHEMBL332832 0.77 CA2 (0.66) TSHRCA2LMNACA1USP2
SCHEMBL6738632 0.76 ALDH1A1 (0.43) TSHRCA2LMNACA1USP2

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 7 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
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 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 TSHR 762/4885CA2 511/4885LMNA 4564/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 TSHR 1003/4885CA2 220/4885LMNA 4573/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 TSHR 706/4885CA2 1233/4885LMNA 3218/4885

“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.