SCHEMBL12776882

SCHEMBL12776882

CC(C)(C)c1ccc2ccc3c(-c4nc5ccccc5o4)ccc4ccc1c2c43

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ KDM6B O15054 1/20 0.41

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
SCHEMBL12776920 0.87 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776912 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776880 0.84 PTGS2 (0.45) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776883 0.83 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776881 0.79 HPGD (0.49) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL16484903 0.78 NPC1 (0.49) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776893 0.77 HPGD (0.45) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776969 0.77 MAPT (0.55) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL23854444 0.77 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDUSP2
SCHEMBL12776967 0.76 ALOX5 (0.62) ALDH1A1MAPTKDM4EHPGDUSP2

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 ALDH1A1 2046/4885MAPT 2121/4885KDM4E 1639/4885

“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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