SCHEMBL509209

SCHEMBL509209

CCc1cc(C(F)(F)F)cc(CC)c1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.49
RXRG P48443 8/20 0.49
RXRB P28702 7/20 0.49
AGBL2 Q5U5Z8 1/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CES2 O00748 1/20 0.39
TACR1 P25103 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL19475583 0.79 AGBL2 (0.41) RXRARXRGRXRBAGBL2ALDH1A1
SCHEMBL508558 0.77 PTGS2 (0.47) RXRARXRGRXRBPTGDR2
SCHEMBL29009799 0.77 RXRA (0.50) RXRARXRGRXRBAGBL2PSEN1
SCHEMBL2308100 0.77 CES2 (0.42) RXRARXRGRXRBAGBL2ALDH1A1
SCHEMBL22773948 0.76 RXRA (0.54) RXRARXRGRXRBAGBL2PSEN1
SCHEMBL29467110 0.76 RXRA (0.54) RXRARXRGRXRBAGBL2PSEN1
SCHEMBL510120 0.76 MAPT (0.46) ALDH1A1PTGDR2
SCHEMBL509065 0.76 RXRA (0.40) RXRARXRBALDH1A1LMNA
SCHEMBL2525416 0.76 AKR1B1 (0.52) RXRARXRGRXRBAGBL2PSEN1
SCHEMBL19475117 0.75 RXRA (0.45) RXRARXRGRXRBAGBL2PSEN1

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 RXRA 995/4885RXRG 1118/4885RXRB 712/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 RXRA 1426/4885RXRG 813/4885RXRB 1352/4885

“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.