SCHEMBL9945959

SCHEMBL9945959

CCCOc1cccc(F)c1B(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
PDE4D Q08499 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 1/20 0.38
CYP2A6 P11509 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTR2A P28223 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.35
JAK2 O60674 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29952625 0.89 L3MBTL1 (0.44) L3MBTL1PDE4DTDP1CYP1A2CYP2C19
SCHEMBL3316374 0.89 L3MBTL1 (0.44) L3MBTL1PDE4DTDP1CYP1A2CYP2C19
SCHEMBL9945925 0.87 L3MBTL1 (0.49) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL29954630 0.81 L3MBTL1 (0.46) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL12538526 0.81 L3MBTL1 (0.46) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL3785252 0.79 MCHR1 (0.44) CYP1A2CYP2C19MCHR1CYP2A6HTR2C
SCHEMBL9945992 0.79 L3MBTL1 (0.47) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL9945939 0.78 HPGD (0.38) L3MBTL1PDE4DTDP1CYP1A2CYP2C19
SCHEMBL8216509 0.75 L3MBTL1 (0.50) L3MBTL1PDE4DTDP1CYP1A2CYP2C19
SCHEMBL29635826 0.75 L3MBTL1 (0.69) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 L3MBTL1 4393/4885PDE4D 611/4885TDP1 3577/4885

“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.