SCHEMBL12776893

SCHEMBL12776893

CC(C)(C)c1ccc(-c2ccc3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5nc6ccccc6o5)c5ccc2c3c45)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ USP2 O75604 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ GFER P55789 1/20 0.44
▸ PTGS2 P35354 3/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HCRTR1 O43613 2/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL12776975 0.94 KDM4E (0.50) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL12776880 0.93 PTGS2 (0.45) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL2296437 0.87 KDM4E (0.51) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL2756903 0.85 ALDH1A1 (0.49) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL12380352 0.85 ALDH1A1 (0.45) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL12777070 0.85 ALDH1A1 (0.45) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL2757080 0.84 NPC1 (0.45) MAPTTP53NPC1RAB9AGFER
SCHEMBL12777044 0.84 MET (0.50) HPGDKDM4EALDH1A1MAPTUSP2
SCHEMBL12777214 0.84 NPC1 (0.53) HPGDKDM4EALDH1A1MAPTTP53
SCHEMBL12777037 0.84 NPC1 (0.47) HPGDKDM4EALDH1A1MAPTUSP2

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 HPGD 2445/4885KDM4E 1639/4885ALDH1A1 2046/4885

“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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