SCHEMBL921591

SCHEMBL921591

CCOCCOc1cc[c]c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.43
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 1/20 0.37
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
THRA P10827 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL920962 0.92 KDM4E (0.40) NCF1KDM4ETDP1MAPK1L3MBTL1
SCHEMBL920840 0.92 KDM4E (0.40) NCF1PDE3BPDE3AP2RY12KDM4E
SCHEMBL919990 0.90 SMN1; SMN2 (0.39) NCF1KDM4EMAPK1CYP1A2CYP2D6
SCHEMBL919182 0.90 SMN1; SMN2 (0.39) NCF1KDM4EMAPK1CYP1A2CYP2D6
SCHEMBL922005 0.90 SMN1; SMN2 (0.39) NCF1KDM4EMAPK1CYP1A2CYP2D6
SCHEMBL8407097 0.85 NQO1 (0.34) KDM4ETDP1L3MBTL1CYP1A2CYP2D6
SCHEMBL919955 0.84 KMT2A (0.40) MEN1KMT2AL3MBTL1CYP1A2CYP2D6
SCHEMBL458361 0.84 NQO1 (0.44) KDM4ETDP1MAPK1MEN1KMT2A
SCHEMBL16741209 0.83 SYK (0.37) KDM4EMAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL920483 0.83 LTA4H (0.42) MEN1KMT2AL3MBTL1CYP1A2CYP2D6

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 NCF1 1003/4885PDE3B 4246/4885PDE3A 3381/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 NCF1 3001/4885PDE3B 3853/4885PDE3A 3526/4885

“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.