SCHEMBL2457576

SCHEMBL2457576

Cc1cc(Br)c2cc(C)cc(Br)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPK1 P28482 1/20 0.33
MYC P01106 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32

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
SCHEMBL5778579 0.76 ACHE (0.40) ALDH1A1ALDH2ALDH3A1TSHRESR1
SCHEMBL1966924 0.76 APEX1 (0.53) ALDH1A1ALDH2ALDH3A1MAPTTSHR
SCHEMBL1372825 0.75 ESR1 (0.34) ALDH1A1MAPTESR1ESR2RAPGEF4
SCHEMBL29732307 0.75 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1MAPTESR1
SCHEMBL20481891 0.75 ALDH1A1 (0.50) ALDH1A1ALDH2ALDH3A1MAPTESR1
SCHEMBL24915799 0.74 ALDH1A1 (0.32) ALDH1A1MAPTACHEPRNPPPARG
SCHEMBL21115306 0.73 ALDH1A1 (0.31) ALDH1A1ALDH2ALDH3A1MAPTMYC
SCHEMBL31582596 0.72 CYP2A6 (0.39) ALDH1A1MAPTTSHRMAPK1ACHE
SCHEMBL7052032 0.72 CYP1A2 (0.35) ALDH1A1MAPK1ACHE
SCHEMBL2519793 0.72 CYP1A2 (0.61) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026664-B2 Compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-09-27 US disclosed
US-20090033210-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-02-05 US disclosed
WO-2007123256-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2007-11-01 WO 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-20090033210-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TRPA1, LEF1, FLI1 ALDH1A1 427/4885ALDH2 1315/4885ALDH3A1 1374/4885

“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.