SCHEMBL2021132

SCHEMBL2021132

CC(C)[Si](O)(c1ccccc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL271794 0.79 ESR1 (0.39) ESR1ESR2NR1H2NR1H3ADRA2A
SCHEMBL273497 0.79 ESR1 (0.39) ESR1ESR2NR1H2NR1H3ADRA2A
SCHEMBL8514131 0.78 ALDH1A1 (0.35) LMNAKDM4EALDH1A1TDP1POLB
SCHEMBL273488 0.77 ESR1 (0.43) ESR1ESR2NR1H2NR1H3ADRA2A
SCHEMBL15735579 0.75 TRPA1 (0.36) ALDH1A1ALOX5POLB
SCHEMBL14880008 0.75 CA12 (0.47) KDM4EALDH1A1TDP1POLBGAA
SCHEMBL15735445 0.75 ACHE (0.41) ESR2
SCHEMBL2017485 0.75 ALDH1A1 (0.41) KDM4EALDH1A1GAA
SCHEMBL13766348 0.72 ESR1 (0.37) ESR1ESR2ADRA2AADRA2CLMNA
SCHEMBL9763717 0.72 ESR1 (0.37) ESR1ESR2ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341108-B1 Surface treatment method for solid material SHINETSU CHEMICAL CO (JP) 2014-07-02 EP disclosed
US-8541631-B2 Surface treatment method for solid material SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-24 US disclosed
EP-2341108-A1 Surface treatment method for solid material Shin-Etsu Chemical Co., Ltd. (JP) 2011-07-06 EP disclosed
US-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-20090035215-A1 RADIOFLUORINATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
US-5670489-A USEFUL IN TREATMENT OF DISEASES WHICH ARE MODULATED BY PROTEINS, OR IN TREATMENT OF VIRUSES SUCH AS INFLUENZA, HERPES, AND HIV NOVARTIS CORPORATION (US) 1997-09-23 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
US-5508270-A Nucleoside phosphinate compounds and compositions CIBA-GEIGY CORPORATION (US) 1996-04-16 US disclosed
US-5466677-A Dinucleoside phosphinates and their pharmaceutical compositions CIBA-GEIGY CORPORATION (US) 1995-11-14 US disclosed
EP-0614906-A1 Mononucleotide analogues and intermediates therefor CIBA-GEIGY AG (CH) 1994-09-14 EP disclosed
EP-0614907-A1 Dinucleotide and oligonucleotide analogues CIBA-GEIGY AG (CH) 1994-09-14 EP disclosed
EP-0251827-B1 NEW CYCLIC ETHER DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-09-15 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
US-4891363-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY LIMITED (JP) 1990-01-02 US disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP 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-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL H1-2, H1-0, HRH3 ESR1 855/4885ESR2 1274/4885NR1H2 862/4885
US-20090035215-A1 RADIOFLUORINATION AFF2, AFF1, NUTF2 ESR1 1664/4885ESR2 194/4885NR1H2 915/4885

“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.