SCHEMBL4853969

SCHEMBL4853969

Cc1ccc([Si](C)(C)C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
ACHE P22303 2/20 0.45
TRPA1 O75762 1/20 0.45
PTGS1 P23219 1/20 0.45
CACNA1C Q13936 1/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4857124 0.81 ESR1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18604566 0.80 TRPA1 (0.46) ACHETRPA1ALDH1A1CYP1A2CYP2D6
SCHEMBL3313456 0.77 ALDH1A1 (0.42) TSHRACHEALDH1A1KDM4EMAPT
SCHEMBL27928670 0.76 ESR1 (0.32) ACHEESR1ESR2ARNR1H2
SCHEMBL3824007 0.75 ALDH1A1 (0.40) TSHRACHEALDH1A1KDM4EMAPT
SCHEMBL16558528 0.74 KDM1A (0.37) ACHEALOX15ESR1ESR2AR
SCHEMBL20089237 0.73 ACHE (0.33) ACHENR1H2NR1H3
SCHEMBL13318430 0.71 ESR1 (0.36) ACHETRPA1ESR1ESR2AR
SCHEMBL14359572 0.71 SHBG (0.38) TSHRACHEALDH1A1KDM4EPKM
SCHEMBL9726921 0.70 SMN1; SMN2 (0.42) TSHRACHEALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
US-7407649-B2 Compounds having a benzene ring substituted with 1 or 2 trialkylsilyl(alkyl) groups and at least 2 additional aryl or heteroaryl rings: 5-[2-methyl-5-(trimethylsilyl)phenoxy]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide; Gonadotropin-Releasing Hormone antagonists; anticancer agents PARADIGM THERAPEUTICS LTD (GB) 2008-08-05 US disclosed
US-7407649-B2 Compounds having a benzene ring substituted with 1 or 2 trialkylsilyl(alkyl) groups and at least 2 additional aryl or heteroaryl rings: 5-[2-methyl-5-(trimethylsilyl)phenoxy]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide; Gonadotropin-Releasing Hormone antagonists; anticancer agents PARADIGM THERAPEUTICS LTD (GB) 2008-08-05 US disclosed
EP-1644385-B1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LTD (GB) 2007-08-29 EP disclosed
US-20070110708-A1 Silicon compounds and their use PARADIGM THERAPEUTICS LTD (GB) 2007-05-17 US disclosed
US-20070110708-A1 Silicon compounds and their use PARADIGM THERAPEUTICS LTD (GB) 2007-05-17 US disclosed
CN-1823076-A Silicon compounds and their use PARADIGM THERAPEUTICS LTD (GB) 2006-08-23 CN disclosed
EP-1644385-A1 SILICON COMPOUNDS AND THEIR USE Paradigm Therapeutics Limited (GB) 2006-04-12 EP disclosed
WO-2005005442-A1 SILICON COMPOUNDS AND THEIR USE PARADIGM THERAPEUTICS LTD. (GB) 2005-01-20 WO 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 (2 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-20070110708-A1 Silicon compounds and their use SOST, SMAD3, SMAD2 TSHR 4491/4885CASP1 695/4885ACHE 650/4885
US-20080261918-A1 Silicon Compounds and Their Use SOST, SIK2, SCLY TSHR 3872/4885CASP1 1467/4885ACHE 1390/4885

“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.