SCHEMBL210519

SCHEMBL210519

CCCCC(O)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.57
FDPS P14324 6/20 0.50
PTPN1 P18031 1/20 0.49
LPAR3 Q9UBY5 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 2/20 0.42
LAP3 P28838 1/20 0.41
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40

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
SCHEMBL8682289 0.94 SMPD1 (0.66) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL2514364 0.92 SMPD1 (0.69) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL2370055 0.92 SMPD1 (0.69) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL28470942 0.92 SMPD1 (0.69) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL11619477 0.92 SMPD1 (0.69) SMPD1FDPSPTPN1LPAR3LPAR1
Ammonia Solution, Strong SCHEMBL28408668 0.90 SMPD1 (0.67) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL28701575 0.90 SMPD1 (0.67) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL2676632 0.86 SMPD1 (0.50) SMPD1FDPSPTPN1LPAR3LPAR1
SCHEMBL8609842 0.84 FDPS (0.46) SMPD1FDPSPTPN1LAP3
SCHEMBL28114269 0.82 SMPD1 (0.57) SMPD1PTPN1LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116297412-A Method for detecting glycerol content in reconstituted tobacco of heated cigarettes 湖北中烟工业有限责任公司 2023-06-23 CN claimed
CN-116297412-A Method for detecting glycerol content in reconstituted tobacco of heated cigarettes 湖北中烟工业有限责任公司 2023-06-23 CN disclosed
WO-2015026566-A1 LUBRICANT HAVING IMPROVED ANTIWEAR PROPERTIES ICL-IP AMERICA INC. (US) 2015-02-26 WO disclosed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed
EP-0758369-A4 SYNTHETIC ESTER LUBRICANT HAVING IMPROVED ANTIWEAR PROPERTIES FMC CORP (US) 1998-10-21 EP disclosed
EP-0758369-A1 SYNTHETIC ESTER LUBRICANT HAVING IMPROVED ANTIWEAR PROPERTIES FMC CORPORATION (US) 1997-02-19 EP disclosed
US-5560849-A CONTAINING ARYL DIPHOSPHATE ESTER; HIGH TEMPERATURE LUBRICANT FMC CORPORATION (US) 1996-10-01 US disclosed
WO-1996020263-A1 SYNTHETIC ESTER LUBRICANT HAVING IMPROVED ANTIWEAR PROPERTIES FMC CORPORATION (US) 1996-07-04 WO disclosed
EP-0671625-A1 A process for detecting biomolecules by means of an enzymatic amplification system MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1995-09-13 EP 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 SMPD1 235/4885FDPS 3701/4885PTPN1 606/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMPD1 235/4885FDPS 3701/4885PTPN1 606/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SMPD1 235/4885FDPS 3701/4885PTPN1 606/4885

“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.