SCHEMBL509210

SCHEMBL509210

CCc1cc(C(F)(F)F)ccc1C(CC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.48
AKR1C3 P42330 8/20 0.47
AKR1C2 P52895 8/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
POLQ O75417 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1C4 P17516 2/20 0.39

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
SCHEMBL6677088 0.83 PDE2A (0.49) PDE2AAKR1C3AKR1C2CYP1A2CYP2C9
SCHEMBL510121 0.79 SRC (0.48) AKR1C3AKR1C2MEN1ALDH1A1POLB
SCHEMBL508559 0.78 AKR1C3 (0.42) PDE2AAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL22519375 0.77 PDE2A (0.47) PDE2ACYP1A2CYP2C9CYP2C19
SCHEMBL10911784 0.76 PPARG (0.41) PDE2APSEN1PSEN2APH1BNCSTN
SCHEMBL1903665 0.76 AKR1C3 (0.59) AKR1C3AKR1C2CYP1A2CYP2C9MEN1
Hydrochloric Acid SCHEMBL2763475 0.74 AKR1C3 (0.58) AKR1C3AKR1C2CYP1A2CYP2C9MEN1
SCHEMBL22279495 0.74 PDE2A (0.45) PDE2ACYP1A2CYP2C9CYP2C19
SCHEMBL29472456 0.74 PDE2A (0.45) PDE2ACYP1A2CYP2C9CYP2C19
SCHEMBL509825 0.74 AKR1C3 (0.60) AKR1C3AKR1C2CYP1A2AKR1B10AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 PDE2A 1625/4885AKR1C3 107/4885AKR1C2 534/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PDE2A 1498/4885AKR1C3 103/4885AKR1C2 149/4885

“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.