SCHEMBL921393

SCHEMBL921393

CCC(C)COc1cc[c]c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.39
FFAR1 O14842 1/20 0.38
GPR88 Q9GZN0 8/20 0.37
TLR8 Q9NR97 1/20 0.35
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
MCHR1 Q99705 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 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
SCHEMBL28463041 0.80 MGLL (0.33)
SCHEMBL458361 0.79 NQO1 (0.44) LMNA
SCHEMBL17164336 0.77 GPBAR1 (0.35) GPBAR1GRM2
SCHEMBL919955 0.76 KMT2A (0.40)
SCHEMBL4776330 0.75 FFAR1 (0.46) GPBAR1FFAR1GPR88TLR8LMNA
SCHEMBL385769 0.75 FFAR1 (0.46) GPBAR1FFAR1GPR88TLR8LMNA
SCHEMBL8072049 0.75 FFAR1 (0.46) GPBAR1FFAR1GPR88TLR8LMNA
SCHEMBL919275 0.75 TDP1 (0.46) TLR8
SCHEMBL920483 0.75 LTA4H (0.42)
SCHEMBL5458142 0.74 TSHR (0.50) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 (2 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GPBAR1 2957/4885FFAR1 3411/4885GPR88 4487/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GPBAR1 2424/4885FFAR1 2357/4885GPR88 2163/4885

“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.