SCHEMBL920397

SCHEMBL920397

C=CCCCCOc1cc[c]c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 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
SCHEMBL919875 0.98 ALDH1A1 (0.38) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL919157 0.95 ALDH1A1 (0.43) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL919664 0.90 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4E
SCHEMBL3842501 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL920400 0.82 HDAC3 (0.33) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL920401 0.82 HDAC3 (0.33) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL3845913 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL920851 0.80 MAPT (0.41) ALDH1A1MAOAKDM4E
SCHEMBL920741 0.80 KCNA3 (0.33) HDAC1HDAC2
SCHEMBL919682 0.80 APP (0.36) L3MBTL1

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 ALDH1A1 2743/4885L3MBTL1 1292/4885ALDH2 2079/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 ALDH1A1 4326/4885L3MBTL1 779/4885ALDH2 4272/4885

“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.