SCHEMBL5205504

SCHEMBL5205504

CCCC[C](C)C(=O)NCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CES1 P23141 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
CES2 O00748 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PSMB5 P28074 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL5206290 0.79 FAAH (0.48) EPHX1CES1ALDH1A1CES2FAAH
SCHEMBL5204051 0.79 EPHX1 (0.47) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL5203792 0.79 EPHX1 (0.47) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL23323306 0.78 EPHX1 (0.46) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL3914202 0.78 HPGD (0.54) EPHX1CYP2D6CYP2C19CNR1MEN1
SCHEMBL5206143 0.76 MEN1 (0.52) EPHX1CES1MEN1KMT2AALDH1A1
SCHEMBL2965737 0.75 EPHX1 (0.46) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL6850946 0.73 CYP2D6 (0.65) EPHX1CYP2D6CYP2C19CNR1CNR2
SCHEMBL5207984 0.73 MMP1 (0.41) EPHX1CES1MEN1KMT2AALDH1A1
SCHEMBL639470 0.73 EPHX1 (0.45) EPHX1CYP2D6CYP2C19CNR1CNR2

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
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
EP-1272475-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
EP-1272476-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO 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

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 EPHX1 792/4885CYP2D6 297/4885CYP2C19 1228/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 EPHX1 686/4885CYP2D6 122/4885CYP2C19 879/4885

“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.