SCHEMBL761300

SCHEMBL761300

C[Si](C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
IKBKB O14920 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL762476 0.96 ESR1 (0.36) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL761290 0.96 IKBKB (0.35) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL762131 0.96 IKBKB (0.36) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL760880 0.95 IKBKB (0.35) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL760858 0.94 ESR1 (0.35) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL761322 0.93 IKBKB (0.32) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL14424845 0.92 ALDH1A3 (0.33) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL14516043 0.90 ACHE (0.33) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL760861 0.90 ACHE (0.33) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14516040 0.90 ACHE (0.33) CYP1A2ALDH1A1KDM4EMEN1KMT2A

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-8647753-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2014-02-11 US disclosed
US-8647753-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2014-02-11 US disclosed
US-8137823-B2 Anthracene derivatives, process for preparation thereof, and organic electronic light emitting device using the same LG CHEM, LTD. (KR) 2012-03-20 US disclosed
US-20090079334-A1 Novel Anthracene Derivatives, Process for Preparation Thereof, and Organic Electronic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2009-03-26 US disclosed
US-20070087222-A1 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2007-04-19 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-20090079334-A1 Novel Anthracene Derivatives, Process for Preparation Thereof, and Organic Electronic Light Emitting Device Using the Same XPOT, ALAD, APRT CYP1A2 61/4885SMN1; SMN2 2381/4885ALDH1A1 434/4885

“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.