SCHEMBL811236

SCHEMBL811236

O=C1C(=O)C2c3cc4ccccc4cc3C1c1cc3cc4cc5c(cc4cc3cc12)C1C(=O)C(=O)C5c2cc3ccccc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 5/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
HIF1A Q16665 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HBB P68871 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL13376404 1.00 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL13707270 1.00 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL29971794 0.95 GRIN2D (0.41) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL810959 0.95 GRIN2D (0.41) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL2790054 0.87 CYP2A6 (0.35) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL15702890 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL13709408 0.85 ALDH1A1 (0.34) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL13653814 0.84 HSP90AA1 (0.37) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A
SCHEMBL13376434 0.83 PDE3B (0.38) ALDH1A1CYP3A4HSD17B10ALOX15TDP1
SCHEMBL13376401 0.83 GRIN2D (0.33) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884249-B2 oxidizing a diol derivative with an oxidizing agent such as osmium tetraoxide to form 6,13-ethanopentacene-6,13-dione CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-7884249-B2 oxidizing a diol derivative with an oxidizing agent such as osmium tetraoxide to form 6,13-ethanopentacene-6,13-dione CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed
US-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-24 US disclosed
US-7601478-B2 Bicyclo compound, method for producing fused aromatic compound using the same and method for forming film of the same CANON KABUSHIKI KAISHA (JP) 2009-10-13 US disclosed
US-7588959-B2 Organic field effect transistor and method for producing the same CANON KABUSHIKI KAISHA (JP) 2009-09-15 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-20090317753-A1 BICYCLO COMPOUND, METHOD FOR PRODUCING PENTACENE AND A FILM THEREOF USING THE SAME, AND METHOD FOR PRODUCING BICYCLO COMPOUND C9, C5, RNF168 ALDH1A1 946/4885CYP3A4 154/4885HSD17B10 335/4885

“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.