SCHEMBL4585477

SCHEMBL4585477

CCCCCCCCCCCCc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LIPG Q9Y5X9 4/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
SRC P12931 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LPL P06858 3/20 0.35
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL2815176 0.98 TYR (0.42) TYRMAPTTP53CYP3A4MEN1
SCHEMBL2814697 0.98 TYR (0.42) TYRMAPTTP53CYP3A4MEN1
SCHEMBL2813389 0.98 TYR (0.42) TYRMAPTTP53CYP3A4MEN1
SCHEMBL2812711 0.89 MAPT (0.36) TYRMAPTTP53CYP3A4MEN1
SCHEMBL27241162 0.85 TYR (0.48) TYRMAPTTP53CYP3A4MEN1
SCHEMBL28040895 0.85 TYR (0.48) TYRMAPTTP53CYP3A4MEN1
SCHEMBL21037083 0.83 HSD17B3 (0.40) MAPTMEN1TSHRKMT2ATDP1
SCHEMBL5822562 0.83 TYR (0.46) TYRMAPTTP53CYP3A4MEN1
SCHEMBL21028835 0.80 RARB (0.38) MAPTTP53CYP3A4MEN1TSHR
SCHEMBL17768931 0.80 ALDH1A1 (0.39) TYRMAPTMEN1HTTKMT2A

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
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
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
CN-101072743-A Pyrene compound, and light-emitting transistor element and organic electroluminescent element using same PIONEER CORP (JP) 2007-11-14 CN 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 TYR 226/4885MAPT 662/4885TP53 621/4885

“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.