SCHEMBL9945923

SCHEMBL9945923

CCOc1cc(F)ccc1B(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EGFR P00533 4/20 0.37
HRH4 Q9H3N8 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MRGPRX1 Q96LB2 2/20 0.36
ERBB2 P04626 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL29954551 0.89 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL4050099 0.89 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9945926 0.86 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9945989 0.85 CYP1A2 (0.41) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL2523519 0.79 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1440694 0.79 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29952296 0.79 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL31314076 0.77 LIPE (0.36) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL14988246 0.76 HTR2C (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29951322 0.76 HTR2C (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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 4393/4885CYP1A2 2891/4885CYP2D6 2993/4885

“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.