SCHEMBL761406

SCHEMBL761406

C[Si](C)(C)c1ccc(N(c2ccc3c(-c4ccccc4)c4cc(N(c5ccc([Si](C)(C)C)cc5)c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.34
ESR2 Q92731 6/20 0.34
SIGMAR1 Q99720 5/20 0.33
DHFR P00374 1/20 0.33
SLC2A1 P11166 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
LMNA P02545 1/20 0.31
C5AR1 P21730 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL762128 0.98 ESR1 (0.33) ESR1ESR2SIGMAR1DHFR
SCHEMBL14424428 0.96 SIGMAR1 (0.34) ESR1ESR2SIGMAR1DHFRCYP1A2
SCHEMBL762122 0.91 CRHR1 (0.34) SIGMAR1DHFRALDH1A1HPGDKDM4E
SCHEMBL761299 0.91 ENPP1 (0.38) DHFRALDH1A1CYP1A2KDM4ECYP2C9
SCHEMBL762137 0.90 DHFR (0.34) SIGMAR1DHFRALDH1A1CYP1A2HPGD
SCHEMBL12928338 0.88 SIGMAR1 (0.38) ESR1ESR2SIGMAR1DHFRCYP1A2
SCHEMBL12014668 0.88 SIGMAR1 (0.38) ESR1ESR2SIGMAR1DHFRCYP1A2
SCHEMBL760844 0.88 DHFR (0.34) SIGMAR1DHFRKDM4EMAPTC5AR1
SCHEMBL13333656 0.87 SIGMAR1 (0.38) ESR1ESR2SIGMAR1DHFRALDH1A1
SCHEMBL14489459 0.87 ESR1 (0.36) ESR1ESR2SIGMAR1DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902013-B1 NOVEL ANTHRACENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND ORGANIC ELECTRONIC LIGHT EMITTING DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2016-06-01 EP disclosed
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 ESR1 143/4885ESR2 1238/4885SIGMAR1 3640/4885

“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.