SCHEMBL4585984

SCHEMBL4585984

CCCCCCCCCCCCc1cc(-c2cccnc2)c2ccc3c(-c4cccnc4)cc(-c4cccnc4)c4ccc1c2c43

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP11B1 P15538 2/20 0.40
ICMT O60725 1/20 0.40
GBA1 P04062 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TLR8 Q9NR97 1/20 0.38
CYP11B2 P19099 1/20 0.37
FAAH O00519 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
SCHEMBL4584752 0.84 LIPG (0.41) TDP1CYP3A4TLR8
SCHEMBL14680959 0.79 CNR1 (0.51) PPARACNR1CNR2TDP1L3MBTL1
SCHEMBL21480390 0.76 PPARA (0.55) PPARACNR1CNR2TDP1L3MBTL1
SCHEMBL14492285 0.76 CYP19A1 (0.51) PPARACNR1CNR2TDP1L3MBTL1
SCHEMBL4585387 0.75 CNR2 (0.39) CNR2CYP3A4LMNATLR8
SCHEMBL14302677 0.74 CYP11B1 (0.59) CYP3A4CYP19A1CYP11B1LMNAPOLB
SCHEMBL13085350 0.74 CYP11B1 (0.59) CYP3A4CYP19A1CYP11B1LMNAPOLB
SCHEMBL28040895 0.73 TYR (0.48) TDP1CYP3A4TRPV1LMNA
SCHEMBL27241162 0.73 TYR (0.48) TDP1CYP3A4TRPV1LMNA
SCHEMBL14302706 0.73 CYP11B1 (0.54) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19

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 3 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
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 PPARA 149/4885CNR1 3370/4885CNR2 2875/4885

“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.