SCHEMBL510197

SCHEMBL510197

CCc1cc(C)cc(OC)c1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 3/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC13A5 Q86YT5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
AKR1C2 P52895 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR2 P34972 1/20 0.38
CA5A P35218 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12553293 0.88 ALDH1A1 (0.49) HSD17B10ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL13070829 0.85 ALDH1A1 (0.43) HSD17B10ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL3001741 0.85 ALDH1A1 (0.38) HSD17B10ALDH1A1SMN1; SMN2KDM4ECYP3A4
SCHEMBL13244252 0.85 THRB (0.41) HSD17B10ALDH1A1TSHRSLC13A5KDM4E
SCHEMBL510120 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2GAATSHRKDM4E
SCHEMBL510321 0.83 KDM4E (0.47) HSD17B10ALDH1A1SMN1; SMN2GAATSHR
Hydrochloric Acid SCHEMBL20740117 0.82 MAPT (0.45) ALDH1A1SMN1; SMN2GAATSHRKDM4E
SCHEMBL510312 0.82 KDM4E (0.46) HSD17B10ALDH1A1GAATSHRNFKB1
SCHEMBL1424023 0.80 PTGS1 (0.46) HSD17B10ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL510473 0.79 KDM4E (0.50) ALDH1A1SMN1; SMN2GAATSHRKDM4E

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 16 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
EP-2253207-A1 Substituted phenyl acetic acid esters Bayer CropScience AG (DE) 2010-11-24 EP disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-2216316-A1 Phenyl acetic acid derivatives Bayer CropScience Aktiengesellschaft (DE) 2010-08-11 EP disclosed
EP-2216317-A1 Phenyl acetic acid halogenides Bayer CropScience AG (DE) 2010-08-11 EP disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 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 (4 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 HSD17B10 1169/4885ALDH1A1 1534/4885SMN1; SMN2 2838/4885
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG HSD17B10 1637/4885ALDH1A1 1170/4885SMN1; SMN2 4498/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 HSD17B10 426/4885ALDH1A1 273/4885SMN1; SMN2 4510/4885
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG HSD17B10 1637/4885ALDH1A1 1170/4885SMN1; SMN2 4498/4885

“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.