SCHEMBL921243

SCHEMBL921243

CSc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A1 P04798 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP1B1 Q16678 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
LTA4H P09960 4/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
MAOA P21397 2/20 0.33
TSHR P16473 1/20 0.33
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MMP1 P03956 1/20 0.31
MMP14 P50281 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
SCHEMBL28072263 0.81 LTA4H (0.55) LTA4HMAOATSHRNR1H2BAX
SCHEMBL8155454 0.80 LTA4H (0.43) LTA4HMAOATSHRNR1H2BAX
SCHEMBL920289 0.79 TEAD4 (0.47) SLC6A4HTR2ALTA4HTSHRNR1H2
SCHEMBL919392 0.79 LTA4H (0.59) CYP1A2LTA4HTSHR
SCHEMBL921773 0.79 CYP1A1 (0.42) SLC6A4HTR2AKCNH2CYP1A1CYP1A2
SCHEMBL61732 0.78 LTA4H (0.57) LTA4HMAOATSHRNR1H2BAX
SCHEMBL7909500 0.78 LTA4H (0.57) SLC6A4HTR2AKCNH2CYP1A1CYP1A2
SCHEMBL2774995 0.78 CYP1A1 (0.52) SLC6A4HTR2AKCNH2CYP1A1CYP1A2
SCHEMBL9450784 0.77 LTA4H (0.42) LTA4HMAOATSHRNR1H2BAX
SCHEMBL922033 0.76 LTA4H (0.41) LTA4H

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 SLC6A4 2590/4885HTR2A 4680/4885KCNH2 2433/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 SLC6A4 3323/4885HTR2A 3803/4885KCNH2 669/4885

“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.