SCHEMBL6351871

SCHEMBL6351871

O=P(Cl)(CCP(=O)(Cl)OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 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
SCHEMBL6357550 0.86 ACHE (0.45) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11422554 0.83 ACHE (0.47) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11333088 0.80 ACHE (0.44) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL29133209 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL1913740 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL29133227 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL29133238 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11343859 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL8507982 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL29133236 0.78 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234257-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids LOYOLA UNIVERSITY OF CHICAGO 2005-10-20 US disclosed
US-6909010-B2 Facile synthesis of symmetric esters of alkylenebisphosphonic acids LOYOLA UNIVERSITY OF CHICAGO (US) 2005-06-21 US disclosed
US-20030060648-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids LOYOLA UNIVERSITY OF CHICAGO 2003-03-27 US disclosed
WO-2002085918-A1 A FACILE SYNTHESIS OF SYMMETRIC ESTERS OF ALKYLENEBISPHOSPHONIC ACIDS LOYOLA UNIVERSITY OF CHICAGO (US) 2002-10-31 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-20030060648-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids PHOSPHO1, ADH1C, PAICS ACHE 2155/4885NPSR1 2048/4885MEN1 286/4885
US-20050234257-A1 Facile synthesis of symmetric esters of alkylenebisphosphonic acids PHOSPHO1, PAPSS1, PHPT1 ACHE 1481/4885NPSR1 1387/4885MEN1 189/4885

“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.