SCHEMBL12269100

SCHEMBL12269100

c1cnc2cc(-c3ccc4c5c3ccc3ccc6c(-c7cnc8cccnc8c7)ccc-4c6c35)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PDGFRA P16234 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL12268954 0.95 ERN1 (0.38) ERN1CYP2A6ALDH1A1NPC1POLB
SCHEMBL12269130 0.82 PDGFRB (0.51) CYP2A6PDGFRBPDGFRACYP1A2
SCHEMBL12268909 0.82 ALDH1A1 (0.45) ERN1KDM4EALDH1A1NPC1POLB
SCHEMBL14184273 0.80 CYP1A2 (0.42) KDM4EALDH1A1NPC1RAB9APDGFRB
SCHEMBL12269099 0.79 ALOX5AP (0.40) CYP2A6KDM4ENPC1POLBRAB9A
SCHEMBL12268913 0.78 ERN1 (0.43) ERN1ALDH1A1NPC1POLBRAB9A
SCHEMBL12268893 0.78 PDGFRB (0.48) CYP2A6PDGFRBPDGFRACYP1A2
SCHEMBL12269076 0.78 POLB (0.59) ERN1KDM4EALDH1A1NPC1POLB
SCHEMBL16483088 0.77 NPC1 (0.54) CYP2A6ALDH1A1NPC1POLBRAB9A
SCHEMBL12268953 0.76 ALOX5AP (0.40) ERN1KDM4EALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8021766-B2 layer containing an organic compound sandwiched between the pair of electrodes; high color purity, high efficiency, high luminance, and a long life; nonaggregate; cost efficiency CANON KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-8021766-B2 layer containing an organic compound sandwiched between the pair of electrodes; high color purity, high efficiency, high luminance, and a long life; nonaggregate; cost efficiency CANON KABUSHIKI KAISHA (JP) 2011-09-20 — — US disclosed
US-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-11-20 — — US disclosed
US-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-11-20 — — 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-20080286611-A1 BENZO(GHI)FLUORANTHENE DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME GTF2I, FLI1, GLB1 ERN1 3635/4885CYP2A6 883/4885KDM4E 2867/4885

“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.

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