SCHEMBL5081895

SCHEMBL5081895

CP(=O)(Oc1ccc2cc(Br)ccc2c1)Oc1ccc2cc(Br)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.49
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP2A6 P11509 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
FLT3 P36888 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5081897 0.85 NCEH1 (0.50) NCEH1LMNAL3MBTL1CYP2A6GPR84
SCHEMBL28032275 0.81 LMNA (0.53) LMNACYP2A6KMT2AMEN1MAPT
SCHEMBL13342844 0.81 INPPL1 (0.53) NCEH1LMNAL3MBTL1CYP2A6GPR84
SCHEMBL5967211 0.80 GPR84 (0.63) LMNAL3MBTL1CYP2A6GPR84KMT2A
SCHEMBL28033998 0.78 ALDH1A1 (0.46) LMNAKMT2AMAPTALDH1A1KDM4E
SCHEMBL29967341 0.73 CYP2A6 (0.60) NCEH1LMNAL3MBTL1CYP2A6KMT2A
SCHEMBL227023 0.73 CYP2A6 (0.60) NCEH1LMNAL3MBTL1CYP2A6KMT2A
SCHEMBL6511992 0.72 GPR84 (0.58) CYP2A6GPR84KMT2AMEN1MAPT
Ammonia Solution, Strong SCHEMBL8045635 0.71 CYP2A6 (0.58) NCEH1LMNAL3MBTL1CYP2A6KMT2A
SCHEMBL7529485 0.71 CYP2A6 (0.58) NCEH1LMNAL3MBTL1CYP2A6KMT2A

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 NCEH1 1566/4885LMNA 1975/4885L3MBTL1 441/4885

“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.