SCHEMBL986581

SCHEMBL986581

Cc1cc(C)c(C2C(=O)CCC2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.33
GAA P10253 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
PBRM1 Q86U86 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TYMS P04818 1/20 0.31

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
SCHEMBL10729507 0.91 UGT2B17 (0.35) UGT2B17GAAHSD17B10KDM4ERAPGEF4
SCHEMBL19549149 0.86 LMNA (0.36) ALDH1A1MAPTLMNA
SCHEMBL1653586 0.83
SCHEMBL14992858 0.83
SCHEMBL11217698 0.80 GPR35 (0.44) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15001078 0.78
SCHEMBL1038175 0.77 ALDH1A1 (0.31) GAAALDH1A1
SCHEMBL14993537 0.77 CNR1 (0.34)
SCHEMBL407242 0.75 KDM4E (0.36) GAAHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL15001083 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074755-B Herbicidal compounds 先正达参股股份有限公司 2020-03-17 CN disclosed
CN-105121410-B Herbicidally active 2- (substituted-phenyl) -cyclopentane-1, 3-dione compounds and derivatives thereof SYNGENTA LTD. (GB) 2019-11-01 CN disclosed
CN-106795101-B Herbicides compounds 先正达参股股份有限公司 2019-09-20 CN disclosed
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof SYNGENTA LIMITED (GB) 2019-08-13 US disclosed
US-10301295-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-28 US disclosed
US-10206394-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
EP-3209133-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-10-03 EP disclosed
EP-3004063-B1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-07-18 EP disclosed
CN-105283446-B Herbicidally active 2- (substituted-phenyl) -cyclopentane-1, 3-dione compounds and derivatives thereof 先正达有限公司 2018-06-12 CN disclosed
US-20170320863-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-11-09 US disclosed
EP-0773920-B1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0773920-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-05-21 EP disclosed
EP-0773920-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-05-21 EP disclosed
EP-0773920-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-05-21 EP disclosed
WO-1996003366-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed
WO-1996003366-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed
WO-1996003366-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 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 (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-20170320863-A1 HERBICIDAL COMPOUNDS DHRS9, DDT, MTX1 UGT2B17 1340/4885GAA 843/4885GRIN2D 2324/4885
US-10375956-B2 Herbicidally active 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds and derivatives thereof DDT, HDHD5, CNPY2 UGT2B17 2146/4885GAA 2966/4885GRIN2D 1932/4885
US-10206394-B2 Herbicidal compounds GLRX3, DHRS9, DDT UGT2B17 1334/4885GAA 745/4885GRIN2D 1858/4885
US-10301295-B2 Herbicidal compounds DHRS9, DDT, MTX1 UGT2B17 1340/4885GAA 843/4885GRIN2D 2324/4885

“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.