SCHEMBL5080653

SCHEMBL5080653

O=P(O)(O)Cc1ccc2cc(Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
PGK1 P00558 9/20 0.42
PGK2 P07205 9/20 0.42
ACP3 P15309 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL25306698 0.95 CYP2A6 (0.41) CYP2A6PGK1PGK2ACP3ENPP2
SCHEMBL9170574 0.88 PGK1 (0.50) PGK1PGK2ACP3ENPP2
SCHEMBL9169463 0.82 PGK1 (0.48) PGK1PGK2ACP3ENPP2
SCHEMBL915502 0.81 PGK1 (0.50) CYP2A6PGK1PGK2ACP3
SCHEMBL21585529 0.81 CA12 (0.44) PGK1PGK2ACP3ENPP2
SCHEMBL29616518 0.81 PGK1 (0.50) CYP2A6PGK1PGK2ACP3
SCHEMBL1823591 0.80 PGK1 (0.55) PGK1PGK2ENPP2
SCHEMBL25411152 0.78 PTPRB (0.40) PGK1PGK2MEN1ALDH1A1MAPT
SCHEMBL11043660 0.78 PGK1 (0.53) PGK1PGK2ENPP2
SCHEMBL14077361 0.77 CYP2A6 (0.38) CYP2A6KDM4EMEN1ALDH1A1MAPT

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-8872422-B2 Dinaphthyl ethylene derivativce, process for preparing it, film prepared from it, and OLED including the film TSINGHUA UNIVERSITY (CN) 2014-10-28 US disclosed
US-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films TSINGHUA UNIVERSITY (CN) 2008-09-11 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-20080220286-A1 Electroluminescent compound; high color purity, high fluorescence yield, and high electric luminance yield; easy to synthesize and can easily form films EED, DDT, RABL6 CYP2A6 1744/4885PGK1 4323/4885PGK2 4725/4885

“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.