SCHEMBL9946094

SCHEMBL9946094

CCCc1ccc(OCc2ccc(B(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
APP P05067 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAOB P27338 3/20 0.44
BCHE P06276 1/20 0.43
FFAR1 O14842 1/20 0.43
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL16440937 0.87 APP (0.56) HRH3APPSENP8SENP7SENP6
SCHEMBL9946093 0.83 ENPP2 (0.58) MAOBFFAR1
SCHEMBL9946078 0.82 MAOB (0.56) HRH3APPSENP8SENP7SENP6
SCHEMBL16440936 0.82 FFAR1 (0.54) HRH3APPSENP8SENP7SENP6
SCHEMBL16428800 0.82 FFAR1 (0.54) HRH3APPSENP8SENP7SENP6
SCHEMBL9946049 0.81 MAOB (0.61) APPSENP8SENP7SENP6MAOB
SCHEMBL13845303 0.80 APP (0.61) HRH3APPSENP8SENP7SENP6
SCHEMBL10784840 0.80 LTA4H (0.64) HRH3MAOBBCHEFFAR1LTA4H
SCHEMBL9946052 0.80 LMNA (0.60) MAOBBCHE
SCHEMBL19864469 0.80 MAOB (0.57) HRH3APPSENP8SENP7SENP6

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 LPL 2017/4885LIPG 1774/4885HRH3 463/4885

“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.