SCHEMBL7082010

SCHEMBL7082010

CCCCC#CO[PH](=O)OC#CCCCC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.34
TSHR P16473 1/20 0.33
PTPN7 P35236 5/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5167349 0.70
SCHEMBL3456364 0.70
SCHEMBL513893 0.70
SCHEMBL27973035 0.69
SCHEMBL28678392 0.69 HMGCR (0.38) HMGCRTSHRPTPN7KDM4EMEN1
SCHEMBL4554544 0.69
SCHEMBL17743906 0.69
SCHEMBL10964073 0.69
SCHEMBL11546173 0.69
SCHEMBL513894 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030224038-A1 Cross-linkable phosphonate-containing supramolecular complexes and their use for delivery of therapeutic and diagnostic agents PAGE CATHERINE J (US) 2003-12-04 US disclosed
WO-2003070222-A1 CROSS-LINKABLE PHOSPHONATE-CONTAINING SUPRAMOLECULAR COMPLEXES AND THEIR USE FOR DELIVERY OF THERAPEUTIC AND DIAGNOSTIC AGENTS UNIVERSITY OF OREGON (US) 2003-08-28 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 (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-20030224038-A1 Cross-linkable phosphonate-containing supramolecular complexes and their use for delivery of therapeutic and diagnostic agents PHOSPHO1, PPIP5K2, CLTB HMGCR 461/4885TSHR 3178/4885PTPN7 3617/4885

“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.