SCHEMBL510313

SCHEMBL510313

CCC(C(=O)O)c1ccc(Cl)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
LPAR1 Q92633 3/20 0.41
PPARA Q07869 1/20 0.41
PTGES O14684 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL510198 0.83 AKR1C3 (0.46) ALDH1A1LMNAMAPTTDP1L3MBTL1
SCHEMBL25242321 0.83 AKR1C3 (0.46) LMNAMAPTNPSR1TDP1AKR1C3
SCHEMBL31688947 0.83 AKR1C3 (0.60) ALDH1A1TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL4778923 0.81 HTT (0.46) LMNATDP1L3MBTL1MEN1KMT2A
SCHEMBL1678998 0.80 PTGS1 (0.49) ALDH1A1NPSR1AKR1C3AKR1C2PTGS1
SCHEMBL28564626 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1TDP1AKR1C3AKR1C2
SCHEMBL508994 0.79 PPARG (0.44) ALDH1A1LMNAMAPTAKR1C3AKR1C2
SCHEMBL1999919 0.79 POLB (0.53) ALDH1A1LMNAMAPTNPSR1TDP1
SCHEMBL29889833 0.79 POLB (0.53) ALDH1A1LMNAMAPTNPSR1TDP1
SCHEMBL28041376 0.79 AKR1C3 (0.46) ALDH1A1LMNAMAPTNPSR1AKR1C3

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
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
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 CN disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 WO 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 ALDH1A1 1534/4885LMNA 1307/4885MAPT 4297/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 ALDH1A1 273/4885LMNA 2149/4885MAPT 4247/4885

“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.