SCHEMBL9945992

SCHEMBL9945992

CCCCOc1cccc(F)c1B(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MCHR1 Q99705 2/20 0.41
FAAH O00519 9/20 0.41
CYP19A1 P11511 1/20 0.40
CYP2D6 P10635 1/20 0.39
PTPN1 P18031 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL12538526 0.85 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL29954630 0.85 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL427889 0.79 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL9945959 0.79 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL255559 0.78 L3MBTL1 (0.72) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8996035 0.77 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL12648399 0.77 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL13696485 0.77 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL3316374 0.77 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL29952625 0.77 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1

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 2891/4885CYP2C19 3767/4885

“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.