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Sugi Predict / Compounds / SCHEMBL762131

SCHEMBL762131

SCHEMBL762131

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.36
▸ CYP1A2 P05177 7/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ UTRN P46939 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL760880 0.99 IKBKB (0.35) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL761290 0.97 IKBKB (0.35) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL761300 0.96 CYP1A2 (0.36) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL761322 0.94 IKBKB (0.32) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL762476 0.92 ESR1 (0.36) CYP1A2ALDH1A1SMN1; SMN2CYP2C9HSD17B10
SCHEMBL760858 0.92 ESR1 (0.35) CYP1A2ALDH1A1SMN1; SMN2HPGDCYP2C9
SCHEMBL14516031 0.92 GPR84 (0.34) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL17787787 0.91 IKBKB (0.31) IKBKBALDH1A1HPGDKDM4ELMNA
SCHEMBL762479 0.90 IKBKB (0.33) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD
SCHEMBL762137 0.89 DHFR (0.34) IKBKBCYP1A2ALDH1A1SMN1; SMN2HPGD

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 IKBKB 4465/4885CYP1A2 61/4885ALDH1A1 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.