SCHEMBL3081523

SCHEMBL3081523

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL10174520 0.96 KDM4E (0.43) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL1224633 0.91 KDM4E (0.43) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL13527350 0.88 ALDH1A1 (0.42) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL18568164 0.88 KDM4E (0.41) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL13070829 0.88 ALDH1A1 (0.43) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL3001748 0.88 KDM4E (0.41) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL14400612 0.86 HSP90AB1 (0.40) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL2167805 0.85 KMT2A (0.44) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL1475954 0.83 HSP90AB1 (0.43) KDM4EGAAHSD17B10CASP1CASP7
SCHEMBL2428979 0.83 KDM4E (0.38) KDM4EGAAHSD17B10CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239468-A Preparation method of 2- (2, 6-diethyl-4-methylphenyl) -malonic acid dimethyl ester 上海工程技术大学 2023-06-09 CN claimed
CN-116239468-A Preparation method of 2- (2, 6-diethyl-4-methylphenyl) -malonic acid dimethyl ester 上海工程技术大学 2023-06-09 CN disclosed
CN-116239468-A Preparation method of 2- (2, 6-diethyl-4-methylphenyl) -malonic acid dimethyl ester 上海工程技术大学 2023-06-09 CN disclosed
CN-113121341-A Method for synthesizing 2, 6-diethyl-4-methyl phenylacetate 江苏中旗科技股份有限公司 2021-07-16 CN disclosed
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-2925736-B1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2017-01-04 EP disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-8383853-B2 Method for preparing 2,6-diethyl-4-methylphenylacetic acid BAYER CROPSCIENCE AG (DE) 2013-02-26 US disclosed
US-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-12-25 US disclosed
CN-101094855-A 2, 6-diethyl-4-methylphenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2007-12-26 CN 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C KDM4E 1388/4885GAA 527/4885HSD17B10 2508/4885
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, DDT, WEE2 KDM4E 699/4885GAA 3016/4885HSD17B10 147/4885
US-20100261934-A1 Method for Preparing 2,6-Diethyl-4-Methylphenylacetic Acid DDT, TET1, DDC KDM4E 303/4885GAA 342/4885HSD17B10 2174/4885
US-20080318776-A1 2,6-Diethyl-4-Methylphenyl-Substituted Tetramic Acid Derivatives DDT, TET1, TET3 KDM4E 231/4885GAA 536/4885HSD17B10 2265/4885

“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.