SCHEMBL691791

SCHEMBL691791

NC(CO)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.52
SMPD1 P17405 2/20 0.44
LMNA P02545 3/20 0.42
PDE3A Q14432 2/20 0.42
ADRB3 P13945 1/20 0.42
PDE4D Q08499 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRM4 Q14833 1/20 0.35
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
OTC P00480 1/20 0.33

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
SCHEMBL11327768 0.78 FDPS (0.70) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL11326626 0.78 FDPS (0.55) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL1285892 0.77 FDPS (0.61) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL4098390 0.73 FDPS (0.56) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL457919 0.73 FDPS (0.64) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL8825784 0.73 FDPS (0.77) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL5162874 0.73 FDPS (0.64) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL4104675 0.73 FDPS (0.73) FDPSSMPD1LMNAPDE3AADRB3
SCHEMBL1285910 0.73 FDPS (0.64) FDPSSMPD1LMNAPDE3AADRB3
Tromethamine SCHEMBL1509014 0.71 LMNA (0.67) FDPSSMPD1LMNAPDE3AADRB3

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
US-3940436-A Substituted ethane diphosphonic acids and salts and esters thereof MONSANTO COMPANY (US) 1976-02-24 US claimed
US-20260076944-A1 COMPOSITIONS AND METHODS FOR PROMOTING BRAIN HEALTH UNIV CALIFORNIA (US) 2026-03-19 US disclosed
US-20260022384-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2026-01-22 US disclosed
US-12491217-B2 Compositions and methods for promoting healthy neural development in an unborn baby THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-09 US disclosed
US-20230348785-A1 FLAME RETARDANT FOR WOODY MATERIALS AND FLAME-RETARDANT WOODY MATERIAL DAIHACHI CHEM IND (JP) 2023-11-02 US disclosed
US-11760936-B2 Flame retardant for woody materials and flame-retardant woody material DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-09-19 US disclosed
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-06-15 US disclosed
US-20230172955-A1 ETHANOLAMINE-BASED LIPID BIOSYNTHETIC COMPOUNDS, METHOD OF MAKING AND USE THEREOF METANOI THERAPEUTICS INC (US) 2023-06-08 US disclosed
EP-2618832-B1 COMPOSITION COMPRISING SOD, LUTEIN AND ZEAXANTHIN OMNIVISION GMBH (DE) 2023-06-07 EP disclosed
US-20230144385-A1 ETHANOLAMINE FORMULATION FOR TREATING EPITHELIAL OVARIAN CARCINOMA METANOI THERAPEUTICS, INC. 2023-05-11 US disclosed
WO-2005082144-A1 METHYLATION INHIBITOR COMPOUNDS GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER (US) 2005-09-09 WO disclosed
EP-1503800-A1 TREATMENT AND PREVENTION OF TISSUE DAMAGE Pentraxin Therapeutics Limited (GB) 2005-02-09 EP disclosed
WO-2003097104-A1 TREATMENT AND PREVENTION OF TISSUE DAMAGE PENTRAXIN THERAPEUTICS LIMITED (GB) 2003-11-27 WO disclosed
US-4615977-A AMINE DERIVATIVES PROMOTE GROWTH WITH LOW SERUM CONCENTRATIONS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-10-07 US disclosed
EP-0082974-B1 METHOD FOR THE CULTIVATION OF NORMAL DIPLOID CELLS AND CULTIVATION MEDIUM USED THEREFOR Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-05-14 EP disclosed
US-3962318-A Substituted ethane diphosphonic acids and salts and esters thereof MONSANTO COMPANY (US) 1976-06-08 US disclosed
US-3957858-A SUBSTITUTED ETHANE DIPHOSPHONIC ACIDS AND SALTS AND ESTERS THEREOF MONSANTO COMPANY (US) 1976-05-18 US disclosed
US-3944599-A Substituted ethane diphosphonic acids and salts MONSANTO COMPANY (US) 1976-03-16 US disclosed
US-3940436-A Substituted ethane diphosphonic acids and salts and esters thereof MONSANTO COMPANY (US) 1976-02-24 US 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 (5 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-20230144385-A1 ETHANOLAMINE FORMULATION FOR TREATING EPITHELIAL OVARIAN CARCINOMA PHOSPHO1, EGLN3, HIF1AN FDPS 4598/4885SMPD1 374/4885LMNA 1752/4885
US-20230181621-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF ASNS, GLS, GLS2 FDPS 27/4885SMPD1 1738/4885LMNA 3822/4885
US-20260076944-A1 COMPOSITIONS AND METHODS FOR PROMOTING BRAIN HEALTH IDO1, INMT, IDO2 FDPS 3139/4885SMPD1 4363/4885LMNA 4468/4885
US-20230172955-A1 ETHANOLAMINE-BASED LIPID BIOSYNTHETIC COMPOUNDS, METHOD OF MAKING AND USE THEREOF PHOSPHO1, SGMS2, CHKB FDPS 195/4885SMPD1 62/4885LMNA 3483/4885
US-20260022384-A1 ASPARAGINE SYNTHETASE INHIBITORS AND USES THEREOF ASNS, AARS1, NARS1 FDPS 284/4885SMPD1 3954/4885LMNA 3409/4885

“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.