SCHEMBL919613

SCHEMBL919613

CCCCCOc1ccc[c]c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
MCHR1 Q99705 2/20 0.41
LTA4H P09960 1/20 0.39
TLR8 Q9NR97 2/20 0.38

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
SCHEMBL27452216 0.98 MEN1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL920424 0.98 MEN1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL918984 0.98 MEN1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL921028 0.95 CYP1A2 (0.49) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL920758 0.89 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL920464 0.87 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19CYP2C9LMNA
SCHEMBL921771 0.86 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19LMNAMAPT
SCHEMBL919818 0.85 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL919867 0.85 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL920954 0.85 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9MEN1

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 L3MBTL1 1292/4885CYP1A2 2625/4885CYP2C19 3323/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 L3MBTL1 779/4885CYP1A2 2061/4885CYP2C19 2943/4885

“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.