SCHEMBL9463221

SCHEMBL9463221

Cc1ccc(C)c([Si](C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
TP53 P04637 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
IDO1 P14902 1/20 0.36
HSD17B10 Q99714 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL3157442 0.80 TDP1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1313505 0.80 TDP1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1317237 0.80 TDP1 (0.41) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL28033237 0.79 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1686686 0.77 TDP1 (0.48) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL16707371 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL1315699 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL380345 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL843553 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL7028012 0.77 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082959-A Oxidation of alkyl groups substituted on a trialkylsilyl-substituted aromatic ring using oxygen gas and a cobalt and/or manganese compound and a bromide as catalyts AMOCO CORPORATION (US) 1992-01-21 US claimed
US-20230309377-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 US disclosed
US-20210104691-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-04-08 US disclosed
US-20210083205-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-03-18 US disclosed
US-20160336621-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ADEKA CORPORATION (JP) 2016-11-17 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20150259721-A1 CELL LINES ALLOZYNE, INC. 2015-09-17 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-5243010-A Solubility, heat resistance, coatings KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
US-5082959-A Oxidation of alkyl groups substituted on a trialkylsilyl-substituted aromatic ring using oxygen gas and a cobalt and/or manganese compound and a bromide as catalyts AMOCO CORPORATION (US) 1992-01-21 US disclosed
US-5082959-A Oxidation of alkyl groups substituted on a trialkylsilyl-substituted aromatic ring using oxygen gas and a cobalt and/or manganese compound and a bromide as catalyts AMOCO CORPORATION (US) 1992-01-21 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 (8 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO TDP1 1364/4885ALDH1A1 153/4885CYP1A2 194/4885
US-20230309377-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE INTS9, CRY1, CYBA TDP1 3723/4885ALDH1A1 1989/4885CYP1A2 330/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP TDP1 835/4885ALDH1A1 2161/4885CYP1A2 2288/4885
US-20150259721-A1 CELL LINES AARS1, LARS1, IARS1 TDP1 863/4885ALDH1A1 4751/4885CYP1A2 4794/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TDP1 285/4885ALDH1A1 3613/4885CYP1A2 3420/4885
US-20210104691-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, AP1M1, FOXM1 TDP1 3585/4885ALDH1A1 127/4885CYP1A2 209/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT TDP1 2536/4885ALDH1A1 312/4885CYP1A2 4/4885
US-20210083205-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, NOM1, MSL1 TDP1 2311/4885ALDH1A1 86/4885CYP1A2 377/4885

“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.