SCHEMBL625998

SCHEMBL625998

CCCCCC(N)(CCCCC)CCCCC.COP(=O)(O)OC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.55
SMPD1 P17405 5/20 0.53
GGPS1 O95749 7/20 0.47
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44

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
SCHEMBL626715 0.98 FDPS (0.56) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL241994 0.94 FDPS (0.53) FDPSSMPD1GGPS1LPAR1LPAR3
Diprobutine SCHEMBL626403 0.86 FDPS (0.50) FDPSSMPD1GGPS1
Phosphoric Acid SCHEMBL9078252 0.84 FDPS (0.67) FDPSSMPD1GGPS1LPAR1LPAR3
Phosphoric Acid SCHEMBL2207289 0.84 FDPS (0.67) FDPSSMPD1GGPS1LPAR1LPAR3
Phosphoric Acid SCHEMBL23045203 0.84 FDPS (0.67) FDPSSMPD1GGPS1LPAR1LPAR3
Phosphoric Acid SCHEMBL8911229 0.84 FDPS (0.63) FDPSSMPD1GGPS1LPAR1LPAR3
Phosphoric Acid Monomethyl Ester SCHEMBL27640080 0.83 SMPD1 (0.56) FDPSSMPD1GGPS1LPAR1LPAR3
Diethyl Hydrogen Phosphate SCHEMBL625868 0.81 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL27691646 0.81 LPAR3 (0.54) FDPSSMPD1GGPS1LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926384-B2 Regioselectively substituted cellulose esters produced in a tetraalkylammonium alkylphosphate ionic liquid process and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2018-03-27 US disclosed
EP-3216806-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2017-09-13 EP disclosed
US-20140343271-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2014-11-20 US disclosed
US-8524887-B2 Regioselectively substituted cellulose esters produced in a tetraalkylammonium alkylphosphate ionic liquid process and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2013-09-03 US disclosed
EP-2419453-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2012-02-22 EP disclosed
EP-2419454-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM Eastman Chemical Company (US) 2012-02-22 EP disclosed
US-20120041080-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2012-02-16 US disclosed
US-8067488-B2 Cellulose solutions comprising tetraalkylammonium alkylphosphate and products produced therefrom EASTMAN CHEMICAL COMPANY (US) 2011-11-29 US disclosed
US-20100305249-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-12-02 US disclosed
WO-2010120269-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 WO disclosed
WO-2010120268-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 WO disclosed
US-20100267942-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS PRODUCED IN A TETRAALKYLAMMONIUM ALKYLPHOSPHATE IONIC LIQUID PROCESS AND PRODUCTS PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2010-10-21 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 (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-20120041080-A1 CELLULOSE SOLUTIONS COMPRISING TETRAALKYLAMMONIUM ALKYLPHOSPHATE AND PRODUCTS PRODUCED THEREFROM AGPS, THEM6, PCTP FDPS 1618/4885SMPD1 771/4885GGPS1 1067/4885

“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.