SCHEMBL922728

SCHEMBL922728

CC#CCCOc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.32
KCNA3 P22001 1/20 0.32
ADAM17 P78536 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
NQO1 P15559 1/20 0.30

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
SCHEMBL921231 0.90 KCNA3 (0.35) GAATDP1KCNA3ADAM17ALDH1A1
SCHEMBL921844 0.89 KCNA3 (0.39) GAAKCNA3ADAM17ALDH1A1HTR1B
SCHEMBL920642 0.82 LTA4H (0.36) GAAALDH1A1NQO1
SCHEMBL919503 0.82 CHRNB2 (0.35) GAAKCNA3ALDH1A1MAPTNQO1
SCHEMBL920519 0.82 ADAM17 (0.46) ADAM17MMP2MMP9MMP8MMP13
SCHEMBL920161 0.80 KCNA3 (0.31) KCNA3HTR1DHTR1B
SCHEMBL920102 0.78
SCHEMBL10785918 0.78 KCNA3 (0.43) GAATDP1KCNA3ALDH1A1MAPT
SCHEMBL7770588 0.77 GAA (0.56) GAAKCNA3ALDH1A1MAPTMMP2
SCHEMBL919633 0.75 GAA (0.38) GAAKCNA3ADAM17ALDH1A1MMP13

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 GAA 3332/4885TDP1 4034/4885KCNA3 2546/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GAA 2649/4885TDP1 3862/4885KCNA3 1509/4885

“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.