SCHEMBL4534101

SCHEMBL4534101

NCCP(=O)(O)O[PH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
GABRR1 P24046 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
SCHEMBL6014054 0.84 LMNA (0.40) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL1138036 0.81
SCHEMBL468704 0.79 PPARD (0.46)
SCHEMBL28224930 0.77 PPARD (0.35) GABBR2GABBR1GABRR1
SCHEMBL5885579 0.77 PPARD (0.45)
SCHEMBL8583417 0.77 TYMS (0.31)
SCHEMBL9982944 0.77 PPARD (0.45)
Ethylenediamine SCHEMBL5886184 0.76 ALDH1A1 (0.36) ALDH1A1LMNABLMCYP3A4NFKB1
SCHEMBL7156934 0.76 PPARD (0.34)
SCHEMBL28500058 0.74 LPAR3 (0.41) GABBR2GABBR1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952854-A2 COMPOSITION COMPRISING NON-RADIOACTIVE METAL ION COMPLEXES WITH PHOSPHONATE COMPOUNDS FOR THE PALLIATION OF PAIN ASSOCIATED WITH DISEASES OF THE BONE AND BONE JOINTS Mitreoak Limited (GB) 1999-11-03 EP claimed
US-5902825-A Composition and method for the palliation of pain associated with diseases of the bone and bone joints MITREOAK, LTD. (US) 1999-05-11 US claimed
WO-1998030246-A1 COMPOSITION COMPRISING NON-RADIOACTIVE METAL ION COMPLEXES WITH PHOSPHONATE COMPOUNDS FOR THE PALLIATION OF PAIN ASSOCIATED WITH DISEASES OF THE BONE AND BONE JOINTS MITREOAK LIMITED (GB) 1998-07-16 WO claimed
EP-0111518-B1 POLYMER SOLUTIONS COURTAULDS PLC (GB) 1986-10-29 EP claimed
US-4581072-A CELLULOSE IN SOLVENT, WATER AND STABILIZER; FILMS; FIBERS COURTAULDS PLC (GB) 1986-04-08 US claimed
EP-0111518-A1 POLYMER SOLUTIONS. COURTAULDS PLC (GB) 1984-06-27 EP claimed
WO-1983004415-A1 POLYMER SOLUTIONS COURTAULDS PLC (GB) 1983-12-22 WO claimed
CN-109317117-B Magnetic adsorbent, preparation method thereof and method for treating actinide waste liquid 中国工程物理研究院核物理与化学研究所 2021-08-31 CN disclosed
US-20090202572-A1 COMPOSITIONS AND METHODS FOR MODULATING BONE MASS BAYLOR COLLEGE OF MEDICINE 2009-08-13 US disclosed
EP-1758613-A2 COMPOSITIONS AND METHODS FOR MODULATING BONE MASS BAYLOR COLLEGE OF MEDICINE (US) 2007-03-07 EP disclosed
WO-2005113012-A2 BETA ADRENERGIC DRUG CONJUGATED TO BONE TARGETING MOIETY FOR MODULATING BONE MASS BAYLOR COLLEGE OF MEDICINE (US) 2005-12-01 WO disclosed
EP-0952854-A2 COMPOSITION COMPRISING NON-RADIOACTIVE METAL ION COMPLEXES WITH PHOSPHONATE COMPOUNDS FOR THE PALLIATION OF PAIN ASSOCIATED WITH DISEASES OF THE BONE AND BONE JOINTS Mitreoak Limited (GB) 1999-11-03 EP disclosed
US-5902825-A Composition and method for the palliation of pain associated with diseases of the bone and bone joints MITREOAK, LTD. (US) 1999-05-11 US disclosed
WO-1998030246-A1 COMPOSITION COMPRISING NON-RADIOACTIVE METAL ION COMPLEXES WITH PHOSPHONATE COMPOUNDS FOR THE PALLIATION OF PAIN ASSOCIATED WITH DISEASES OF THE BONE AND BONE JOINTS MITREOAK LIMITED (GB) 1998-07-16 WO disclosed
US-5401491-A NMR contrast agents GUERBET S.A. (FR) 1995-03-28 US disclosed
EP-0183760-B1 NMR CONTRAST AGENTS GUERBET S.A. (FR) 1992-03-18 EP disclosed
EP-0111518-B1 POLYMER SOLUTIONS COURTAULDS PLC (GB) 1986-10-29 EP disclosed
EP-0183760-A1 NMR CONTRAST AGENTS. AMERSHAM INT PLC (GB) 1986-06-11 EP disclosed
US-4581072-A CELLULOSE IN SOLVENT, WATER AND STABILIZER; FILMS; FIBERS COURTAULDS PLC (GB) 1986-04-08 US disclosed
WO-1985005554-A1 NMR CONTRAST AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1985-12-19 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-20090202572-A1 COMPOSITIONS AND METHODS FOR MODULATING BONE MASS ADRB2, ADRA2A, ADRB1 ALDH1A1 3620/4885LMNA 1169/4885BLM 4101/4885

“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.