SCHEMBL509798

SCHEMBL509798

CCc1cccc(CC)c1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.54
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
PTGS2 P35354 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PLA2G2A P14555 1/20 0.43
EGFR P00533 2/20 0.42

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
SCHEMBL2552936 0.88 PTGS2 (0.54) AKR1B1GABRA1GABRB2TDP1PTGS2
SCHEMBL27907594 0.86 AKR1B1 (0.71) AKR1B1GABRA1GABRB2PTGS2MEN1
SCHEMBL29101379 0.86 AKR1B1 (0.46) AKR1B1GABRA1GABRB2TDP1PTGS2
SCHEMBL8189339 0.86 AKR1B1 (0.46) AKR1B1GABRA1GABRB2TDP1PTGS2
SCHEMBL1873283 0.86 AKR1B1 (0.60) AKR1B1TDP1PTGS2DUSP3PTPN5
Benzene SCHEMBL1146112 0.86 AKR1B1 (0.60) AKR1B1TDP1PTGS2DUSP3PTPN5
SCHEMBL2392464 0.83 PTGDR2 (0.50) AKR1B1TDP1PTGS2DUSP3PTPN5
SCHEMBL29010053 0.82 AKR1B1 (0.42) AKR1B1GABRA1GABRB2TDP1PTGS2
SCHEMBL8172704 0.82 FBP1 (0.49) AKR1B1TDP1MEN1KMT2ATSHR
SCHEMBL2820614 0.80 GABRA1 (0.48) GABRA1GABRB2GAAPLA2G2A

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-20210403406-A1 PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-30 US disclosed
CN-112004795-A Process for preparing 2, 6-dialkylphenylacetic acid 拜耳公司 2020-11-27 CN disclosed
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
US-9096534-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US disclosed
US-9096533-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-04 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-05-07 US disclosed
US-20100248964-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
WO-2010102758-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-16 WO disclosed
US-20100210462-A1 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-1280770-B1 C 2? PHENYL-SUBSTITUTED CYCLIC KETO-ENOLS USED AS PESTICIDES AND HERBICIDES BAYER AG (DE) 2010-06-23 EP disclosed
EP-2187745-A2 HERBICIDAL COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
EP-1996557-B1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL CO (JP) 2010-03-03 EP disclosed
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
WO-2009035151-A2 HERBICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 WO disclosed
EP-1996557-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES Sumitomo Chemical Company, Limited (JP) 2008-12-03 EP disclosed
WO-2007119434-A1 PYRIDAZINONE COMPOUND AND USE THEREOF AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-25 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 (7 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-20210403406-A1 PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS ADH1C, ADH1A, ADH5 AKR1B1 174/4885GABRA1 688/4885GABRB2 336/4885
US-20100248964-A1 HERBICIDAL COMPOSITION CHRM2, CHRM1, WEE1 AKR1B1 536/4885GABRA1 2899/4885GABRB2 2575/4885
US-20150126738-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO AKR1B1 600/4885GABRA1 2393/4885GABRB2 2358/4885
US-20100210462-A1 HERBICIDAL COMPOSITION WEE1, WEE2, H1-3 AKR1B1 936/4885GABRA1 1522/4885GABRB2 1736/4885
US-20150126739-A1 PYRIDAZINONE COMPOUND AND USE THEREOF PDXK, PLPBP, PNPO AKR1B1 600/4885GABRA1 2393/4885GABRB2 2358/4885
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids ADH1C, ADH1A, ADH5 AKR1B1 174/4885GABRA1 688/4885GABRB2 336/4885
US-20090111696-A1 Pyridazinone Compound and Use Thereof as herbicides PDXK, DDT, PLPBP AKR1B1 486/4885GABRA1 2022/4885GABRB2 1958/4885

“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.