SCHEMBL4449698

SCHEMBL4449698

CCCCc1ccc(-c2cc3ccc4cccc5ccc(c2-c2ccc(CCCC)cc2)c3c45)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
DHODH Q02127 1/20 0.37
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 1/20 0.36
RARB P10826 2/20 0.35
CNR2 P34972 1/20 0.35
BCHE P06276 1/20 0.35
MPL P40238 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 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
SCHEMBL28830926 0.89 PSMB5 (0.38) PSMB5TRPV1DHODHCTSVCTSL
SCHEMBL15673109 0.88 PSMB5 (0.42) PSMB5TRPV1DHODHERBB2CYP1A2
SCHEMBL28862514 0.86 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL28831054 0.85 TLR8 (0.38) PSMB5CTSVCTSLHSD11B1TLR8
SCHEMBL4444137 0.85 HSD11B1 (0.40) PSMB5TRPV1DHODHCTSVCTSL
SCHEMBL6058898 0.81 TLR8 (0.43) ACHEHSD11B1TLR8RARBTSHR
SCHEMBL28830953 0.80 RARB (0.44) TRPV1ACHECTSVCTSLHSD11B1
SCHEMBL27860002 0.80 TLR8 (0.44) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL4451026 0.78 RARB (0.44) PSMB5HSD11B1RARBMPLTSHR
SCHEMBL4444985 0.78 RARB (0.44) PSMB5HSD11B1RARBMPLTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP PSMB5 4606/4885TRPV1 336/4885DHODH 309/4885

“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.