SCHEMBL4584768

SCHEMBL4584768

c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6cc(-c7ccccc7)c7ccc8c(-c9ccccc9)cc(-c9ccccc9)c9ccc6c7c89)cc5)cc(-c5ccccc5)c5ccc2c3c54)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
PARP1 P09874 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ALOX5 P09917 1/20 0.39
CA12 O43570 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL1003359 0.97 ALDH1A1 (0.45) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL3419780 0.97 ALDH1A1 (0.45) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL260886 0.97 BACE1 (0.48) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL13250966 0.89 GRM2 (0.46) HPGDGPR84METAP2
SCHEMBL15945804 0.89 GRM2 (0.46) HPGDGPR84METAP2
SCHEMBL13251076 0.89 GRM2 (0.46) HPGDGPR84METAP2
SCHEMBL2207885 0.89 CYP1A2 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL27548280 0.88 BACE1 (0.41) BACE1ALDH1A1HPGDKDM4EMEN1
SCHEMBL13250969 0.87 GRM2 (0.45) HPGDGPR84METAP2
SCHEMBL13251081 0.87 GRM2 (0.45) HPGDGPR84METAP2

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 BACE1 1279/4885ALDH1A1 1298/4885HPGD 2103/4885

“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.