SCHEMBL921854

SCHEMBL921854

[c]1cccc(CCCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
SIGMAR1 Q99720 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 2/20 0.43
CA2 P00918 1/20 0.43
IDO1 P14902 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL920960 0.96 MAOA (0.50) HTR2ASIGMAR1MAOAMAOBCA2
SCHEMBL922424 0.94 SIGMAR1 (0.50) SIGMAR1MAOAMAOBCA2L3MBTL1
SCHEMBL159206 0.91 MAOA (0.44) HTR2ASIGMAR1MAOAMAOBCA2
SCHEMBL8099957 0.81 MAOA (0.48) HTR2ASIGMAR1MAOACA2SMN1; SMN2
SCHEMBL1419465 0.81 LTA4H (0.41) CA2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3608427 0.81 MAOA (0.34) HTR2ASIGMAR1MAOACA2
SCHEMBL57607 0.81 CA2 (0.40) HTR2ASIGMAR1CA2MAPK1SLC6A3
SCHEMBL9165540 0.81 ALDH1A1 (0.33) SIGMAR1MAOACA2ALDH1A1HPGD
SCHEMBL6940899 0.81 IDO1 (0.31) SIGMAR1MAOACA2IDO1
SCHEMBL28229966 0.81 TDP1 (0.38) SIGMAR1MAOACA2ADRA1ASLC6A3

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 5 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
EP-0040859-A1 N'-phenyl-N-methylurea derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 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 HTR2A 4680/4885SIGMAR1 3827/4885MAOA 3447/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HTR2A 3803/4885SIGMAR1 3290/4885MAOA 4535/4885

“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.