SCHEMBL12268909

SCHEMBL12268909

c1cnc2cc(-c3ccc4c5c3ccc3ccc6c(-c7ccc8cccnc8c7)ccc-4c6c35)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ERN1 O75460 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL12268913 0.96 ERN1 (0.43) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL15497842 0.91 ALDH1A1 (0.45) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL12269076 0.89 POLB (0.59) ALDH1A1HTTMEN1CASP1KMT2A
SCHEMBL16483073 0.88 NPC1 (0.45) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL12269075 0.85 POLB (0.54) ALDH1A1HTTCASP1NPC1POLB
SCHEMBL16483070 0.83 ERN1 (0.51) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL16483537 0.83 POLB (0.55) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL16483081 0.83 POLB (0.55) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL16483065 0.82 BRD4 (0.43) ALDH1A1HTTMEN1CASP1CASP7
SCHEMBL21536991 0.82 ALDH1A1 (0.42) ALDH1A1HTTMEN1CASP1CASP7

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 ALDH1A1 163/4885HTT 848/4885MEN1 1691/4885

“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.

Send feedback