SCHEMBL5081897

SCHEMBL5081897

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.50
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CETP P11597 1/20 0.40
FLT3 P36888 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5081895 0.85 NCEH1 (0.49) NCEH1LMNAL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL13342844 0.85 INPPL1 (0.53) NCEH1LMNAL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL28032276 0.83 CYP2C19 (0.58) LMNASMN1; SMN2CYP2C19MAPTRAB9A
SCHEMBL5967217 0.81 GPR84 (0.59) SMN1; SMN2CYP2C19MAPTNPC1RAB9A
SCHEMBL28074472 0.80 ALDH1A1 (0.44) LMNASMN1; SMN2CYP2C19MAPTNPC1
SCHEMBL2169863 0.76 CYP2C19 (0.69) SMN1; SMN2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL505384 0.72 CYP2C19 (0.50) LMNAL3MBTL1SMN1; SMN2CYP2C19MAPT
SCHEMBL8386637 0.72 INPPL1 (0.65) CETPGPR84INPPL1INPP5A
SCHEMBL4133716 0.72 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2CYP2C19NPC1ATM
Methyl Alcohol SCHEMBL29235760 0.71 FLT3 (0.57) NCEH1LMNAL3MBTL1MAPTRAB9A

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.