SCHEMBL12776880

SCHEMBL12776880

CC(C)(C)c1ccc(-c2ccc3ccc4c(-c5nc6ccccc6o5)ccc5ccc2c3c54)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.45
▸ TP53 P04637 4/20 0.45
▸ NPC1 O15118 8/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ GFER P55789 1/20 0.44
▸ HPGD P15428 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CASP1 P29466 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
SCHEMBL12776893 0.93 HPGD (0.45) PTGS2TP53NPC1RAB9AGFER
SCHEMBL12777214 0.88 NPC1 (0.53) TP53NPC1RAB9AGFERHPGD
SCHEMBL12777227 0.88 NPC1 (0.48) TP53NPC1RAB9AGFERHPGD
SCHEMBL12776975 0.86 KDM4E (0.50) PTGS2TP53NPC1RAB9AGFER
SCHEMBL12776881 0.86 HPGD (0.49) PTGS2TP53NPC1RAB9AHPGD
SCHEMBL12777224 0.85 MAPT (0.51) TP53NPC1RAB9AGFERHPGD
SCHEMBL12777218 0.85 KDM4E (0.51) TP53NPC1RAB9AGFERHPGD
SCHEMBL12777212 0.85 NPC1 (0.47) TP53NPC1RAB9AGFERHPGD
SCHEMBL12776920 0.84 ALDH1A1 (0.54) PTGS2TP53NPC1RAB9AHPGD
SCHEMBL12776882 0.84 ALDH1A1 (0.46) PTGS2TP53NPC1RAB9AHPGD

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 PTGS2 2344/4885TP53 2565/4885NPC1 2742/4885

“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.

Send feedback