SCHEMBL12777076

SCHEMBL12777076

COc1ccc2cc(-c3ccc4ccc5c(-c6ccc7cc(OC)ccc7c6)cc(-c6nc7cc(C(C)(C)C)ccc7o6)c6ccc3c4c56)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ F2RL3 Q96RI0 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ TP53 P04637 3/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL12777077 0.94 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12777070 0.85 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12777225 0.84 NPC1 (0.46) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12777214 0.82 NPC1 (0.53) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL13851274 0.82 NPC1 (0.55) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12777017 0.82 NPC1 (0.55) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12844652 0.82 NPC1 (0.42) NPC1RAB9AGFERF2RL3HDAC6
SCHEMBL12777195 0.79 ALDH1A1 (0.48) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12777010 0.79 ALDH1A1 (0.50) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12776893 0.79 HPGD (0.45) MAPTNPC1RAB9AALDH1A1HPGD

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 MAPT 2121/4885NPC1 2742/4885RAB9A 3169/4885

“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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