SCHEMBL3766396

SCHEMBL3766396

CCCC=CCCCOc1cccc(CN)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2D6 P10635 1/20 0.35
MCHR1 Q99705 4/20 0.34
RPS6KA1 Q15418 1/20 0.34
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
PRKCD Q05655 1/20 0.33
PAK1 Q13153 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
PPARG P37231 2/20 0.33
PTGS2 P35354 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
SCHEMBL3766158 0.93 CYP1A2 (0.35) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3771934 0.91 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3764583 0.90 CYP1A2 (0.40) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3770876 0.87 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3770868 0.87 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3769104 0.87 CTSS (0.39) L3MBTL1MAPTRPS6KA1
SCHEMBL3763441 0.84 CYSLTR2 (0.38) CYP1A2CYP2C19CYP2C9MAPTRPS6KA1
SCHEMBL3772715 0.84 RPS6KA1 (0.34) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL3771175 0.83 CYSLTR2 (0.42) MAPTPTGS2
SCHEMBL3766281 0.83 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHIEMCAL COMPANY LIMITED (JP) 2010-12-09 US 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 (1 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-20100311790-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME ATL3, NAT1, C5 L3MBTL1 40/4885CYP1A2 1291/4885CYP2C19 3392/4885

“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.