SCHEMBL12269136

SCHEMBL12269136

c1cnc2nc(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ CCR1 P32246 2/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 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
SCHEMBL12269043 0.95 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL28124903 0.89 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12268955 0.81 ADORA1 (0.37) ALDH1A1KDM4ETSHRCYP3A4HSP90AA1
SCHEMBL30598386 0.80 KDM4E (0.53) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12268970 0.78 TDP1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12268978 0.78 TDP1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL13045236 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12268908 0.77 AR (0.44) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12269137 0.77 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12268953 0.76 ALOX5AP (0.40) ALDH1A1KDM4ELMNAMAPTCCR1

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 163/4885KDM4E 2867/4885LMNA 853/4885

“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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