SCHEMBL4396133

SCHEMBL4396133

CCCCOCc1ccc(OP(=O)(O)O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
INPPL1 O15357 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
INPP5A Q14642 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 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
SCHEMBL4383898 0.95 S1PR2 (0.52) S1PR2S1PR1S1PR3LPAR2EPHX2
SCHEMBL8337378 0.84 CA2 (0.53) L3MBTL1EPHX2KDM4E
SCHEMBL4387213 0.83 ALDH1A1 (0.42) INPPL1INPP5AKDM4ESMN1; SMN2HDAC2
SCHEMBL258246 0.80 PTGS1 (0.56) L3MBTL1EPHX2KDM4ESMN1; SMN2
SCHEMBL4396130 0.80 S1PR1 (0.55) S1PR2S1PR1S1PR3LPAR2HDAC2
SCHEMBL25019645 0.80 INPPL1 (0.47) S1PR2S1PR1S1PR3LPAR2INPPL1
SCHEMBL27519166 0.80 CA2 (0.52) L3MBTL1EPHX2KDM4E
SCHEMBL8338754 0.79 CALM1 (0.52) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL14763888 0.77 PTPN1 (0.54)
SCHEMBL21402298 0.77 TUBB4A (0.52)

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
US-11160734-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2021-11-02 US disclosed
EP-2720666-B1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
US-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES PROCTER & GAMBLE (US) 2017-11-02 US disclosed
US-9675531-B2 Personal care compositions comprising shaped abrasive particles THE PROCTER & GAMBLE COMPANY (US) 2017-06-13 US disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
US-9271912-B2 Personal care compositions comprising a pH tuneable gellant and methods of using THE PROCTER & GAMBLE COMPANY (US) 2016-03-01 US disclosed
EP-2720666-A2 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES The Procter and Gamble Company (US) 2014-04-23 EP disclosed
EP-2717966-A2 PERSONAL CARE COMPOSITIONS COMPRISING A DI-AMIDO GELLANT AND METHODS OF USING The Procter and Gamble Company (US) 2014-04-16 EP disclosed
EP-2717967-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING The Procter & Gamble Company (US) 2014-04-16 EP disclosed
US-20130336902-A1 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using FERNANDEZ PRIETO SUSANA (ES) 2013-12-19 US disclosed
US-20130336903-A1 Personal Care Compositions Comprising a pH Tuneable Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2013-12-19 US disclosed
US-20130039961-A1 Personal Care Compositions Comprising Shaped Abrasive Particles THE PROCTER & GAMBLE COMPANY 2013-02-14 US disclosed
WO-2012177757-A2 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO disclosed
WO-2012174096-A2 PERSONAL CARE COMPOSITIONS COMPRISING A DI-AMIDO GELLANT AND METHODS OF USING THE PROCTER & GAMBLE COMPANY (US) 2012-12-20 WO disclosed
WO-2012174091-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING THE PROCTER & GAMBLE COMPANY (US) 2012-12-20 WO disclosed
EP-2120843-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE The Procter and Gamble Company (US) 2009-11-25 EP disclosed
US-20090017080-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE THE PROCTER & GAMBLE COMPANY 2009-01-15 US disclosed
WO-2008112964-A1 PERSONAL CARE KIT HAVING SKIN CARE COMPOSITIONS WITH A READILY PERCEPTIBLE DIFFERENCE THE PROCTER & GAMBLE COMPANY (US) 2008-09-18 WO disclosed
EP-0837862-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-04-29 EP disclosed
WO-1997002273-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-01-23 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 (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-20170312190-A1 PERSONAL CARE COMPOSITIONS COMPRISING SHAPED ABRASIVE PARTICLES POLR1C, PLOD3, C9 S1PR2 1884/4885S1PR1 1500/4885S1PR3 1123/4885
US-11160734-B2 Personal care compositions comprising shaped abrasive particles POLR1C, PLOD3, C9 S1PR2 1884/4885S1PR1 1500/4885S1PR3 1123/4885
US-20130336903-A1 Personal Care Compositions Comprising a pH Tuneable Gellant and Methods of Using ARGLU1, F12, GALR1 S1PR2 2447/4885S1PR1 1908/4885S1PR3 1576/4885
US-20130336902-A1 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using PARN, PARG, CUTA S1PR2 4254/4885S1PR1 4076/4885S1PR3 3513/4885
US-20130039961-A1 Personal Care Compositions Comprising Shaped Abrasive Particles POLR1C, PLOD3, C9 S1PR2 1884/4885S1PR1 1500/4885S1PR3 1123/4885

“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.