SCHEMBL921719

SCHEMBL921719

[c]1cccc(OCCCCC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
HPGD P15428 1/20 0.35
PTGES O14684 1/20 0.35
GPR119 Q8TDV5 7/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NFE2L2 Q16236 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL920509 0.98 KCNA3 (0.37) KCNA3ITGB3ITGA2BHPGDPTGES
SCHEMBL920964 0.98 KCNA3 (0.37) KCNA3ITGB3ITGA2BHPGDPTGES
SCHEMBL919876 0.98 KCNA3 (0.37) KCNA3ITGB3ITGA2BHPGDPTGES
SCHEMBL919604 0.95 HRH3 (0.38) KCNA3ITGB3ITGA2BHPGDGPR119
SCHEMBL919801 0.90 NFE2L2 (0.42) HPGDNFE2L2TEAD1TEAD3
SCHEMBL3174283 0.80 NFE2L2 (0.38) NFE2L2TEAD1TEAD3
SCHEMBL687720 0.80 PARP15 (0.41) SIGMAR1
SCHEMBL919144 0.80 ITGB3 (0.43) KCNA3ITGB3ITGA2BHPGDPTGES
SCHEMBL5704638 0.78 KCNA3 (0.42) KCNA3HTR1DHTR1BHDAC3HDAC4
SCHEMBL919886 0.78 ITGB3 (0.42) KCNA3ITGB3ITGA2BHPGDPTGES

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 KCNA3 2546/4885ITGB3 4696/4885ITGA2B 4877/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KCNA3 1509/4885ITGB3 4866/4885ITGA2B 4883/4885

“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.