SCHEMBL4585387

SCHEMBL4585387

CCCCCCCCCCCCc1cc(-c2ccc3ccccc3c2)c2ccc3c(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c4ccc1c2c43

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
TLR8 Q9NR97 3/20 0.38
GSTP1 P09211 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MAPT P10636 2/20 0.36
CETP P11597 1/20 0.35
MAOA P21397 1/20 0.35
GPR3 P46089 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
EPHX1 P07099 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 0.85 LIPG (0.41) TLR8LIPGMAPTGPR3NR1H2
SCHEMBL5811792 0.78 GSTP1 (0.57) GSTP1SMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL28846703 0.76 MEN1 (0.43) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL4585984 0.75 PPARA (0.47) CNR2TLR8LMNACYP3A4
SCHEMBL17135982 0.75 MEN1 (0.47) TLR8LIPGMAPTMAOAALDH1A1
SCHEMBL27709020 0.75 MEN1 (0.44) TLR8MAPTMAOASMN1; SMN2KDM4E
SCHEMBL27241162 0.74 TYR (0.48) LIPGMAPTLMNAKDM4EALDH1A1
SCHEMBL28040895 0.74 TYR (0.48) LIPGMAPTLMNAKDM4EALDH1A1
SCHEMBL27709022 0.74 CNR2 (0.40) CNR2TLR8GSTP1MAPTCETP
SCHEMBL28037112 0.74 TLR8 (0.49) TLR8

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 CNR2 2875/4885TLR8 3361/4885GSTP1 320/4885

“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.