SCHEMBL2835557

SCHEMBL2835557

Brc1ccc2ccc3c(Br)ccc4ccc1c2c43.Brc1ccc2ccc3ccc(Br)c4ccc1c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
CYP1B1 Q16678 2/20 0.35
CYP1A1 P04798 1/20 0.35
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL283079 1.00 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL29789405 1.00 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL1062422 1.00 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL2085261 0.89 CYP1A2 (0.35) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL131392 0.89 ALDH1A1 (0.55) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL29406157 0.89 ALDH1A1 (0.55) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL30792507 0.89 ALDH1A1 (0.55) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL30045816 0.89 CYP1A2 (0.35) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL14298070 0.85 AXL (0.44) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL15497853 0.85 ALDH1A1 (0.61) CYP1A2ALDH1A1HPGDHSD17B10THRB

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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2147944-A1 PYRENE POLYMER AND LUMINESCENT ELEMENT MADE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-27 EP 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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 CYP1A2 21/4885ALDH1A1 1933/4885HPGD 2229/4885

“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.