SCHEMBL12269130

SCHEMBL12269130

c1ccc2ncc(-c3ccc4c5c3ccc3ccc6c(-c7cnc8ccccc8c7)ccc-4c6c35)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.51
▸ PDGFRA P16234 3/20 0.51
▸ CYP2A6 P11509 1/20 0.46
▸ BIRC5 O15392 1/20 0.45
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ NISCH Q9Y2I1 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ PIK3CB P42338 1/20 0.42

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
SCHEMBL12268893 0.96 PDGFRB (0.48) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL15497847 0.94 PDGFRB (0.54) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL15497834 0.91 PDGFRB (0.51) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL17322716 0.88 PDGFRB (0.49) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL16483100 0.88 PDGFRB (0.54) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL15497848 0.83 PDGFRB (0.46) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL16483283 0.82 PDGFRB (0.62) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL16483088 0.82 NPC1 (0.54) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL12269100 0.82 ERN1 (0.36) PDGFRBPDGFRACYP2A6CYP1A2
SCHEMBL15891148 0.81 CYP1A2 (0.44) PDGFRBPDGFRACYP2A6BIRC5PIK3CD

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 PDGFRB 841/4885PDGFRA 588/4885CYP2A6 883/4885

“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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