SCHEMBL20150633

SCHEMBL20150633

Brc1ccc([SiH2]c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 2/20 0.44
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HTR2A P28223 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.35

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
SCHEMBL14865538 0.93 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1CYP2A6RAB9A
SCHEMBL3133054 0.85 TSHR (0.41) ALDH1A1TDP1MAPK1MAPTCA1
SCHEMBL52125 0.82 TSHR (0.44) ALDH1A1TDP1MAPK1CYP2A6MAPT
Ammonia Solution, Strong SCHEMBL11868999 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
Fluoride SCHEMBL704196 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
SCHEMBL2793388 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
Hydrochloric Acid SCHEMBL312008 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
SCHEMBL2793385 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
Hydrochloric Acid SCHEMBL15122374 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT
Water SCHEMBL6913191 0.78 TSHR (0.41) ALDH1A1TDP1MAPK1CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418666-B A kind of derivative of alkoxy dibenzothiophenes based on silicon tetraphenyl substitution and preparation method thereof 山东盛华新材料科技股份有限公司 2018-03-06 CN claimed
CN-105384764-B A kind of Organic charge transport material shown available for OLED and preparation method thereof 山东盛华新材料科技股份有限公司 2017-12-15 CN claimed
CN-105418666-A Substituted tetraphenyl-silicon alkoxyl dibenzothiophene based derivative, and preparation method for derivative LAIYANG SHENGHUA TECH CO LTD 2016-03-23 CN claimed
CN-105418665-A Organic charge transporting material and preparation method therefor LAIYANG SHENGHUA TECH CO LTD 2016-03-23 CN claimed
CN-105384764-A Organic charge transfer material for OLED display and preparation method thereof LAIYANG SHENGHUA SCIENCE AND TECH CO LTD 2016-03-09 CN claimed
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 US disclosed
CN-105418666-A Substituted tetraphenyl-silicon alkoxyl dibenzothiophene based derivative, and preparation method for derivative LAIYANG SHENGHUA TECH CO LTD 2016-03-23 CN disclosed
CN-105418665-A Organic charge transporting material and preparation method therefor LAIYANG SHENGHUA TECH CO LTD 2016-03-23 CN disclosed
CN-105384764-A Organic charge transfer material for OLED display and preparation method thereof LAIYANG SHENGHUA SCIENCE AND TECH CO LTD 2016-03-09 CN disclosed
CN-101585850-B Aromatic cyanate ester monomer containing silicon and preparation method thereof UNIV DALIAN TECH 2012-05-23 CN disclosed
CN-101585850-A Aromatic cyanate ester monomer containing silicon and preparation method thereof UNIV DALIAN TECH (CN) 2009-11-25 CN 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-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 ALDH1A1 93/4885TDP1 2065/4885MAPK1 346/4885

“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.