SCHEMBL3284601

SCHEMBL3284601

COc1cc(Br)c2ccc3cc(C(C)(C)C)cc4ccc1c2c34

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NQO2 P16083 1/20 0.32
WDR5 P61964 1/20 0.32
NR1I2 O75469 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL14639057 0.89 TDO2 (0.38) TDO2GAAPOLBLMNASMN1; SMN2
SCHEMBL243599 0.85 NR1I2 (0.34) NR1I2
SCHEMBL29773086 0.80 CYP1A2 (0.36) L3MBTL1NR1I2
SCHEMBL242040 0.80 CYP1A2 (0.36) L3MBTL1NR1I2
SCHEMBL3286259 0.80 ALDH1A1 (0.35) L3MBTL1POLBNR1I2
SCHEMBL14639126 0.78 ALDH1A1 (0.40) TDO2L3MBTL1LMNAMAPT
SCHEMBL14654518 0.78 PDE4A (0.39) GAAPOLBMAPT
SCHEMBL19157031 0.78 NR1I2 (0.31) NR1I2
SCHEMBL12432021 0.74 NR1I2 (0.30) NR1I2
SCHEMBL21802398 0.74 RXRA (0.41) MEN1GAAKMT2ASMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709104-B2 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2006-06-01 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-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device ALAD, PAH, PPOX TDO2 28/4885MEN1 3182/4885GAA 2917/4885

“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.