SCHEMBL2848767

SCHEMBL2848767

CC(C)CC(C)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP2 P50579 1/20 0.40
BCAT2 O15382 1/20 0.39
LARS1 Q9P2J5 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PARP1 P09874 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 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
SCHEMBL3380036 0.84 IRAK4 (0.47) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL8526511 0.84 TSHR (0.55) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL1380696 0.84 TSHR (0.55) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL3974925 0.82 IRAK4 (0.46) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL1003281 0.81 HTT (0.46) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL31632660 0.81 IRAK4 (0.55) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL105262 0.81 IRAK4 (0.55) HTTIRAK4ALDH1A1TSHRMAPT
SCHEMBL6151172 0.79 IRAK4 (0.44) HTTIRAK4ALDH1A1TSHRMAPT
Acetic Acid SCHEMBL8193458 0.79 BCAT2 (0.44) HTTIRAK4ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL28294057 0.79 IRAK4 (0.53) HTTIRAK4ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113346-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2023-04-13 US claimed
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2015-12-24 US claimed
US-20150181877-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 US claimed
US-20130217745-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 US claimed
EP-2229057-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2010-09-22 EP claimed
US-20100216640-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US claimed
EP-2150113-A1 FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2010-02-10 EP claimed
WO-2009090038-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO claimed
WO-2008131901-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO claimed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 EP claimed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO claimed
US-11647749-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2023-05-16 US disclosed
US-20230113346-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2023-04-13 US disclosed
US-11570990-B2 Fungicidal compositions comprising 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid methoxy-[1-methyl-2-(2,4,6-trichlorophenyl)-ethyl]-amide and an azole SYNGENTA PARTICIPATIONS AG (CH) 2023-02-07 US disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US disclosed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP disclosed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 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 (8 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-11647749-B2 Fungicidal compositions BROX, RER1, BLVRB HTT 901/4885IRAK4 4400/4885ALDH1A1 2185/4885
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE CBR3, CBR1, C9 HTT 405/4885IRAK4 4791/4885ALDH1A1 2067/4885
US-20100216640-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB HTT 750/4885IRAK4 4461/4885ALDH1A1 2619/4885
US-20150181877-A1 FUNGICIDAL COMPOSITIONS CYP51A1, ERG28, DPM1 HTT 2063/4885IRAK4 4588/4885ALDH1A1 803/4885
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 HTT 3215/4885IRAK4 4102/4885ALDH1A1 3130/4885
US-20230113346-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB HTT 901/4885IRAK4 4400/4885ALDH1A1 2185/4885
US-20130217745-A1 FUNGICIDAL COMPOSITIONS CBR3, C1S, C9 HTT 326/4885IRAK4 4865/4885ALDH1A1 2348/4885
US-11570990-B2 Fungicidal compositions comprising 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid methoxy-[1-methyl-2-(2,4,6-trichlorophenyl)-ethyl]-amide and an azole CBR3, TH, CBR1 HTT 786/4885IRAK4 4719/4885ALDH1A1 1961/4885

“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.