SCHEMBL10045394

SCHEMBL10045394

CC(C)(C)c1ccc(C2=C(c3cccc(-c4ccccn4)n3)[Si](C)(C)C(c3cccc(-c4ccccn4)n3)=C2c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
MAPK1 P28482 1/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 5/20 0.40

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
SCHEMBL13229204 0.90 KIF11 (0.47) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL127151 0.86 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL18385057 0.83 KDM4E (0.53) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL18016432 0.81 HPGDS (0.47) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL13245920 0.80 KIF11 (0.55) LMNAHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL18327034 0.79 KDM4E (0.47) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL2252039 0.78 TRPV1 (0.53) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL21396886 0.77 CYP2A6 (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL14413710 0.77 KDM4E (0.51) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL2537192 0.76 CCR1 (0.50) KDM4ECCR1CCR5CCR8LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-7989802-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2011-08-02 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20100038634-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-02-18 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 KDM4E 1639/4885CCR1 2634/4885CCR5 2894/4885

“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.