SCHEMBL4387210

SCHEMBL4387210

COc1cc(COP(=O)(O)O)ccc1OCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
MRGPRX1 Q96LB2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
FDPS P14324 3/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
PPARG P37231 1/20 0.41
RAB9A P51151 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL4396130 0.84 S1PR1 (0.55) HDAC1HDAC2S1PR2S1PR1S1PR3
SCHEMBL27792356 0.83 CA2 (0.53) SMN1; SMN2KDM4EALDH1A1PPARGALOX15
SCHEMBL4383896 0.82 S1PR2 (0.61) HDAC1HDAC2S1PR2S1PR1S1PR3
SCHEMBL4387213 0.80 ALDH1A1 (0.42) HDAC1HDAC2MRGPRX1SMN1; SMN2KDM4E
SCHEMBL580128 0.79 MRGPRX1 (0.56) HDAC1HDAC2MRGPRX1SMN1; SMN2KDM4E
SCHEMBL17521751 0.78 MRGPRX1 (0.54) HDAC1HDAC2MRGPRX1SMN1; SMN2KDM4E
SCHEMBL8734316 0.75 TSHR (0.55) ALDH1A1ALOX15ALOX12LMNA
SCHEMBL10760563 0.74 KMT2A (0.59) HDAC1HDAC2MRGPRX1SMN1; SMN2KDM4E
SCHEMBL14907134 0.74 TSHR (0.66) HDAC1HDAC2HTT
SCHEMBL8733965 0.74 TSHR (0.54) ALDH1A1ALOX15ALOX12LMNA

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-2717967-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING The Procter & Gamble Company (US) 2014-04-16 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
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-2012174091-A2 PERSONAL CARE COMPOSITIONS COMPRISING A pH TUNEABLE GELLANT AND METHODS OF USING THE PROCTER & GAMBLE COMPANY (US) 2012-12-20 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
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 HDAC1 1297/4885HDAC2 1291/4885MRGPRX1 2788/4885
US-11160734-B2 Personal care compositions comprising shaped abrasive particles POLR1C, PLOD3, C9 HDAC1 1297/4885HDAC2 1291/4885MRGPRX1 2788/4885
US-20130336903-A1 Personal Care Compositions Comprising a pH Tuneable Gellant and Methods of Using ARGLU1, F12, GALR1 HDAC1 1033/4885HDAC2 1963/4885MRGPRX1 435/4885
US-20130336902-A1 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using PARN, PARG, CUTA HDAC1 1496/4885HDAC2 2781/4885MRGPRX1 940/4885
US-20130039961-A1 Personal Care Compositions Comprising Shaped Abrasive Particles POLR1C, PLOD3, C9 HDAC1 1297/4885HDAC2 1291/4885MRGPRX1 2788/4885

“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.