SCHEMBL525808

SCHEMBL525808

CC(C)OP(=O)(CCBr)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
HMGCR P04035 1/20 0.31

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
SCHEMBL2320788 0.86 CTSA (0.37) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11297161 0.85 TSHR (0.43) CTSAACHE
SCHEMBL5751910 0.84 CTSA (0.36) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL525985 0.84 CTSA (0.48) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL525701 0.79 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11515008 0.79 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11514172 0.79 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11516051 0.77 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL4736507 0.77 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL7739962 0.77 CTSA (0.42) CTSAACHEALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598509-B1 METHOD OF THE SYNTHESIS OF DIETHYL OR DIISOPROPYL HALOALKYLPHOSPHONATES AND DIETHYL OR DIISOPROPYL HALOALKYLOXYALKYLPHOSPHONATES ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY V V I (CZ) 2018-02-07 EP disclosed
EP-2598509-A1 METHOD OF THE SYNTHESIS OF DIALKYL HALOALKYLPHOSPHONATES AND DIALKYL HALOALKYLOXYALKYLPHOSPHONATES Ustav Organicke Chemie a Biochemie Akademie Ved Ceske Republiky, V.V.I. (CZ) 2013-06-05 EP disclosed
WO-2012013168-A1 METHOD OF THE SYNTHESIS OF DIALKYL HALOALKYLPHOSPHONATES AND DIALKYL HALOALKYLOXYALKYLPHOSPHONATES ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VĚD ČESKÉ REPUBLIKY, v.v.i. (CZ) 2012-02-02 WO disclosed
US-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
CN-1968920-A Tricyclic aromatic and bis-phenyl sulfinyl derivatives CEPHALON INC (US) 2007-05-23 CN disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 WO disclosed
CN-1684970-A (+)-trans-isomers of (1-phosphonomethoxy-2-alkylcyclopropyl) methyl nucleoside derivatives, process for the preparation of stereoisomers thereof, and use of antiviral agents thereof LG LIFE SCIENCES LTD (KR) 2005-10-19 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS CTSA 4292/4885ACHE 3917/4885ALDH1A1 2631/4885

“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.