SCHEMBL4451022

SCHEMBL4451022

CCCCc1ccc(/C=C/c2ccc(-c3ccc4ccc5c(-c6ccc(/C=C/c7ccc(CCCC)cc7)cc6)ccc6ccc3c4c65)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
RARB P10826 3/20 0.38
SPHK2 Q9NRA0 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MPL P40238 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL4451024 1.00 SPHK1 (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4451026 0.91 RARB (0.44) RARBNPC1RAB9AMPLSMN1; SMN2
SCHEMBL4444985 0.91 RARB (0.44) RARBNPC1RAB9AMPLSMN1; SMN2
SCHEMBL4444137 0.85 HSD11B1 (0.40) CYP3A4RARBNPC1RAB9AMPL
SCHEMBL4449928 0.82 GRIN2D (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3478454 0.82 GRIN2D (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3478453 0.82 GRIN2D (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4449932 0.82 GRIN2D (0.41) SPHK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6058898 0.81 TLR8 (0.43) CYP3A4RARBRAB9ASMN1; SMN2TP53
SCHEMBL28830953 0.80 RARB (0.44) CYP3A4RARBRAB9ASMN1; SMN2TP53

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 SPHK1 4772/4885GRIN2D 2081/4885GRIN3B 2771/4885

“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.