SCHEMBL4584752

SCHEMBL4584752

CCCCCCCCCCCCc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4)c4ccc1c2c43

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
TLR8 Q9NR97 1/20 0.39
SOAT1 P35610 3/20 0.39
GPR3 P46089 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4585387 0.85 CNR2 (0.39) LIPGTLR8GPR3NR1H2NR1H3
SCHEMBL28846703 0.84 MEN1 (0.43) TLR8CYP3A4MAPTMEN1TYR
SCHEMBL4585984 0.84 PPARA (0.47) TLR8CYP3A4TDP1
SCHEMBL12776951 0.83 MAPT (0.43) TLR8CYP3A4MAPTMEN1TP53
SCHEMBL28040895 0.80 TYR (0.48) LIPGCYP3A4MAPTMEN1TP53
SCHEMBL27241162 0.80 TYR (0.48) LIPGCYP3A4MAPTMEN1TP53
SCHEMBL25867877 0.79 LIPG (0.47) LIPGTLR8SOAT1GPR3NR1H2
SCHEMBL5822562 0.78 TYR (0.46) LIPGTLR8CYP3A4MAPTMEN1
SCHEMBL24608921 0.76 LIPG (0.45) LIPGTLR8SOAT1GPR3NR1H2
SCHEMBL21028835 0.75 RARB (0.38) LIPGTLR8CYP3A4MAPTMEN1

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-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 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-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 LIPG 1526/4885TLR8 3361/4885SOAT1 787/4885

“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.