SCHEMBL5206239

SCHEMBL5206239

C[CH]C(=O)NC(CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CA2 P00918 7/20 0.40
CA1 P00915 4/20 0.40
PLA2G2C Q5R387 2/20 0.40
MAPK1 P28482 1/20 0.39
CTSK P43235 3/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8437452 0.88 TAS1R3 (0.52) TAS1R3TAS1R1CA2CA1SMN1; SMN2
SCHEMBL5204535 0.83 CA12 (0.46) TAS1R3TAS1R1CA2CA1MAPK1
SCHEMBL9819625 0.83 ZDHHC20 (0.46) TAS1R3TAS1R1CA2CA1PLA2G2C
SCHEMBL5208140 0.83 TAS1R3 (0.40) TAS1R3TAS1R1CA2CA1PLA2G2C
SCHEMBL5208917 0.81 TAS1R3 (0.46) TAS1R3TAS1R1CA2CA1PLA2G2C
SCHEMBL8436642 0.78 TAS1R3 (0.46) TAS1R3TAS1R1CA2CA1MAPK1
SCHEMBL7211081 0.78 ZDHHC20 (0.49) TAS1R3TAS1R1CA1PLA2G2CMAPK1
SCHEMBL1388451 0.78 CA2 (0.44) CA2CA1PLA2G2CMAPK1CTSK
SCHEMBL13715798 0.78 PLA2G2C (0.59) CA2CA1PLA2G2CMAPK1
SCHEMBL1388452 0.78 CA2 (0.48) TAS1R3TAS1R1CA2CA1PLA2G2C

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 8 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
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (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 TAS1R3 1425/4885TAS1R1 1133/4885CA2 389/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 TAS1R3 1737/4885TAS1R1 1487/4885CA2 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.