SCHEMBL9946044

SCHEMBL9946044

CB(O)c1ccccc1OCc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.62
LIPE Q05469 1/20 0.60
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 2/20 0.48
MAOB P27338 8/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G1B P04054 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL30631550 0.93 ENPP2 (0.71) ENPP2LIPELMNAL3MBTL1HTR6
SCHEMBL2558783 0.93 ENPP2 (0.71) ENPP2LIPELMNAL3MBTL1HTR6
SCHEMBL13723490 0.87 ENPP2 (0.58) ENPP2LIPELMNAL3MBTL1HTR6
SCHEMBL9946042 0.83 ENPP2 (0.84) ENPP2LIPEHTR6MAOBMRGPRX4
SCHEMBL1956146 0.81 LIPE (0.71) ENPP2LIPELMNAL3MBTL1MRGPRX4
SCHEMBL29825616 0.81 LIPE (0.71) ENPP2LIPELMNAL3MBTL1MRGPRX4
SCHEMBL2558644 0.80 MRGPRX4 (0.52) ENPP2LIPELMNAHTR6MAOB
SCHEMBL9893416 0.79 LIPE (0.77) ENPP2LIPELMNAL3MBTL1MAOB
SCHEMBL30631479 0.79 LIPE (0.77) ENPP2LIPELMNAL3MBTL1MAOB
SCHEMBL2559611 0.78 ENPP2 (0.75) ENPP2LIPELMNAHTR6MAOB

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 ENPP2 147/4885LIPE 3056/4885LMNA 3453/4885

“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.