SCHEMBL12268953

SCHEMBL12268953

c1cnc2ncc(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CCR1 P32246 5/20 0.34
▸ CCR8 P51685 5/20 0.34
▸ CCR5 P51681 3/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL12269099 0.96 ALOX5AP (0.40) ALOX5APFEN1CCR1CCR8CCR5
SCHEMBL12268954 0.83 ERN1 (0.38) ERN1ALDH1A1TP53MMP2BCHE
SCHEMBL13045268 0.81 CYP1A2 (0.41) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL12268893 0.81 PDGFRB (0.48) PIK3CAMTORBRD4
SCHEMBL12269075 0.80 POLB (0.54) ERN1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL12268913 0.78 ERN1 (0.43) ERN1ALDH1A1TP53MMP2CYP3A4
SCHEMBL13045270 0.77 PDGFRB (0.36) ALOX5APFEN1CCR1CCR8KDM4E
SCHEMBL28716562 0.76 KDM4E (0.42) CCR1CCR8CCR5KDM4EALDH1A1
SCHEMBL12269136 0.76 ALDH1A1 (0.37) CCR1CCR8CCR5KDM4EMAPT
SCHEMBL12269100 0.76 ERN1 (0.36) ERN1KDM4EALDH1A1CYP3A4HTT

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 ALOX5AP 3827/4885FEN1 1557/4885CCR1 4785/4885

“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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