SCHEMBL9945925

SCHEMBL9945925

CCOc1cccc(F)c1B(C)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.49
ALDH1A1 P00352 3/20 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
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDK2 Q15119 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
HCRTR1 O43613 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
SCHEMBL954824 0.88 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29957026 0.88 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9945959 0.87 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL3790902 0.77 ALDH1A1 (0.47) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4015318 0.76 L3MBTL1 (0.56) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29952625 0.75 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL3316374 0.75 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1242347 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29366998 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL28049884 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1CYP1A2CYP2D6CYP2C19

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 4393/4885ALDH1A1 4010/4885CYP1A2 2891/4885

“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.