SCHEMBL12776925

SCHEMBL12776925

Cc1ccc(-c2ccc3ccc4c(-c5nc6ccc(C(C)(C)C)cc6o5)ccc5ccc2c3c54)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 8/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ GFER P55789 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ HPGD P15428 6/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ESR1 P03372 4/20 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
SCHEMBL12777212 0.93 NPC1 (0.47) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL12777195 0.91 ALDH1A1 (0.48) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL12776911 0.88 NPC1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12776923 0.87 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12777218 0.86 KDM4E (0.51) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL12777070 0.86 ALDH1A1 (0.45) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL12777214 0.85 NPC1 (0.53) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL9890961 0.82 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12776880 0.82 PTGS2 (0.45) HDAC6NPC1RAB9AGFERALDH1A1
SCHEMBL12777018 0.81 NPC1 (0.49) HDAC6NPC1RAB9AGFERALDH1A1

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 HDAC6 4301/4885NPC1 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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