SCHEMBL3886549

SCHEMBL3886549

Brc1cccc(-c2cc(Br)cc(Br)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA1 P14867 3/20 0.47
BIRC5 O15392 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
IDO1 P14902 2/20 0.45
METAP2 P50579 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44

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
Water SCHEMBL28738342 0.97 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16675055 0.92 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL1345303 0.92 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16675057 0.92 CYP1A2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16675049 0.92 CYP1A2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29696912 0.92 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16675046 0.92 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL312091 0.91 ALDH1A1 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29546450 0.91 ALDH1A1 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15624388 0.88 ALDH1A1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903020-B1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO (JP) 2014-03-19 EP disclosed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US disclosed
EP-1903020-A1 BIPHENYL DERIVATIVES, ORGANIC ELECTROLUMINESCENT MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICES MADE BY USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-26 EP disclosed
US-20070013296-A1 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2007-01-18 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-20070013296-A1 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same EED, BMI1, EBPL GABRG2 831/4885GABRB3 418/4885GABRA5 650/4885

“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.