SCHEMBL3696243

SCHEMBL3696243

CC(C)(C)[Si](C)(C)OC1CCCC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPT P10636 1/20 0.33
PPM1D O15297 1/20 0.31
BUB1 O43683 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
SCHEMBL329010 0.89 TRIM24 (0.32) THRBPDE4APDE4BPDE4CPDE4D
SCHEMBL8067894 0.89 BUB1 (0.31) PDE4APDE4BPDE4CPDE4DBUB1
SCHEMBL10605918 0.89 BUB1 (0.31) PDE4APDE4BPDE4CPDE4DBUB1
SCHEMBL2949597 0.89 BUB1 (0.31) PDE4APDE4BPDE4CPDE4DBUB1
SCHEMBL6396660 0.84 TRIM24 (0.36) PDE4APDE4BPDE4CPDE4DPPM1D
SCHEMBL3437917 0.82 MAPT (0.40) THRBPDE4APDE4BPDE4CPDE4D
SCHEMBL1799927 0.81 BUB1 (0.36) BUB1
SCHEMBL74024 0.78 PPM1D (0.31) PPM1DBUB1
SCHEMBL3179253 0.78 BUB1 (0.34) PPM1DBUB1
SCHEMBL8536413 0.78 BUB1 (0.34) PPM1DBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630832-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-06-14 CN disclosed
WO-2021093758-A1 PYRIMIDO DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2021-05-20 WO disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7414132-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070112036-A1 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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 (4 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-20070112036-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 THRB 86/4885PDE4A 3258/4885PDE4B 3839/4885
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 THRB 165/4885PDE4A 3248/4885PDE4B 3667/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 THRB 165/4885PDE4A 3266/4885PDE4B 3671/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 THRB 159/4885PDE4A 3481/4885PDE4B 3800/4885

“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.