SCHEMBL920964

SCHEMBL920964

[c]1cccc(OCCCCCC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
GPR119 Q8TDV5 11/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NFE2L2 Q16236 1/20 0.33
HTR1A P08908 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 1.00 KCNA3 (0.37) KCNA3GPR119ITGB3ITGA2BHDAC3
SCHEMBL919876 1.00 KCNA3 (0.37) KCNA3GPR119ITGB3ITGA2BHDAC3
SCHEMBL921719 0.98 KCNA3 (0.38) KCNA3GPR119ITGB3ITGA2BHDAC3
SCHEMBL919604 0.94 HRH3 (0.38) KCNA3GPR119ITGB3ITGA2BHPGD
SCHEMBL919801 0.89 NFE2L2 (0.42) HPGDNFE2L2
SCHEMBL919886 0.80 ITGB3 (0.42) KCNA3GPR119ITGB3ITGA2BHPGD
SCHEMBL920037 0.80 ITGB3 (0.42) KCNA3GPR119ITGB3ITGA2BHPGD
SCHEMBL921600 0.80 ITGB3 (0.42) KCNA3GPR119ITGB3ITGA2BHPGD
SCHEMBL3174283 0.79 NFE2L2 (0.38) NFE2L2
SCHEMBL918928 0.78 KCNA3 (0.43) KCNA3HDAC3HDAC4HDAC1HDAC7

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 2546/4885GPR119 3969/4885ITGB3 4696/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KCNA3 1509/4885GPR119 2095/4885ITGB3 4866/4885

“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.