SCHEMBL12777236

SCHEMBL12777236

c1ccc(-c2ccc3oc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)ccc7ccc4c5c76)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.44
▸ UTRN P46939 8/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AGPAT2 O15120 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL12777243 0.92 HDAC6 (0.42) HDAC6UTRNCYP1A2AHRHPGD
SCHEMBL12777242 0.90 RAB9A (0.46) GAAL3MBTL1HDAC6UTRNCYP1A2
SCHEMBL12777244 0.89 MAPT (0.57) GAAHDAC6UTRNCYP1A2AHR
SCHEMBL12777228 0.88 ALDH1A1 (0.50) GAAHDAC6UTRNCYP1A2AHR
SCHEMBL12777192 0.87 KDM4E (0.53) GAAL3MBTL1HDAC6HPGDALDH1A1
SCHEMBL12777240 0.87 HPGD (0.53) GAAL3MBTL1HDAC6UTRNCYP1A2
SCHEMBL12777225 0.84 NPC1 (0.46) HDAC6UTRNCYP1A2AHRHPGD
SCHEMBL12777227 0.84 NPC1 (0.48) GAAL3MBTL1HDAC6HPGDESR1
SCHEMBL12777037 0.82 NPC1 (0.47) GAAHDAC6UTRNCYP1A2AHR
SCHEMBL12776995 0.82 HDAC6 (0.46) GAAL3MBTL1HDAC6UTRNHPGD

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 GAA 3105/4885L3MBTL1 195/4885HDAC6 4301/4885

“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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