SCHEMBL5204543

SCHEMBL5204543

[CH2]CC(=O)N(CC)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
CA2 P00918 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 4/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
HTR1A P08908 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5207774 0.90 ALDH1A1 (0.52) CA12CA9CA2ALDH1A1HPGD
SCHEMBL5206297 0.86 CA12 (0.55) CA12CA9CA2ALDH1A1HPGD
SCHEMBL198933 0.85
SCHEMBL5211497 0.82 ALDH1A1 (0.50) CA12CA9CA2ALDH1A1HPGD
SCHEMBL5206242 0.82 SIGMAR1 (0.49) CA12CA9CA2ALDH1A1HPGD
SCHEMBL1880376 0.81 CA12 (0.44) CA12CA9CA2ALDH1A1HPGD
SCHEMBL10489425 0.80 CA12 (0.48) CA12CA9CA2ALDH1A1HPGD
SCHEMBL5209308 0.79 LMNA (0.56) CA12CA9CA2ALDH1A1HPGD
SCHEMBL8437535 0.79 LMNA (0.35) CA12CA9LMNACA1MMP1
SCHEMBL5208331 0.79 CA12 (0.42) CA12CA9CA2ALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP 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 (2 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3363/4885CA9 2975/4885CA2 389/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3265/4885CA9 2121/4885CA2 277/4885

“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.