SCHEMBL4575273

SCHEMBL4575273

CCCCC(CC)COC(O)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 6/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 3/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.38
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

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
SCHEMBL7213996 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL1284067 0.81 CYP3A4 (0.47) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL101500 0.81 CYP3A4 (0.47) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL815687 0.80 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL102775 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL8217861 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1ATM
Propylene Glycol SCHEMBL10498386 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL17162895 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL4416992 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRTDP1ATM
SCHEMBL978998 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321129-B2 Sprayable hair gels WELLA AG (DE) 2008-10-08 EP claimed
US-20160100574-A1 Antimicrobial Compositions Comprising Glyceryl Ethers SYMRISE AG (DE) 2016-04-14 US disclosed
WO-2014191258-A2 ANTIMICROBIAL COMPOSITIONS COMPRISING GLYCERYL ETHERS SYMRISE AG (DE) 2014-12-04 WO disclosed
EP-2807925-A1 Antimicrobial compositions Symrise AG (DE) 2014-12-03 EP disclosed
EP-1652431-B1 Agents having a controlled sustained release to combat microorganisms EVONIK DEGUSSA GMBH (DE) 2013-11-06 EP disclosed
EP-1321129-B2 Sprayable hair gels WELLA AG (DE) 2008-10-08 EP disclosed
EP-1210932-B1 Propellant free sprays compositions HENKEL KGAA (DE) 2007-01-03 EP disclosed
US-20060198859-A1 Compositions with a depot effect for controlling microorganisms GOLDSCHMIDT GMBH (DE) 2006-09-07 US disclosed
EP-1652431-A2 Agents having a controlled sustained release to combat microorganisms Goldschmidt GmbH (DE) 2006-05-03 EP disclosed
EP-1250842-B1 Composition for controlling microorganisms containing an effective amount of polyglycerinesters GOLDSCHMIDT AG TH (DE) 2003-12-17 EP disclosed
US-20030065027-A1 Compositions for controlling microorganisms, comprising primary and secondary esters of polyglycerol in an effective ratio GOLDSCHMIDT AG (DE) 2003-04-03 US disclosed
US-20030008917-A1 Compositions for controlling microorganisms, comprising an effective content of enzymatically prepared esters of polyglycerol ALFA WASSERMANN, INC. 2003-01-09 US disclosed
EP-1250842-A1 Composition for controlling microorganisms containing an effective amount of polyglycerinesters Goldschmidt AG (DE) 2002-10-23 EP disclosed
EP-1250917-A2 Compositions for the control of microorganisms, comprising primary and secondary esters of polyglycerol in an effective ratio Goldschmidt AG (DE) 2002-10-23 EP disclosed
EP-1210932-A2 Propellant free sprays compositions Henkel Kommanditgesellschaft auf Aktien (DE) 2002-06-05 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 (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-20160100574-A1 Antimicrobial Compositions Comprising Glyceryl Ethers MGLL, PGLS, GPX4 ALDH1A1 2405/4885CYP3A4 637/4885TSHR 3833/4885

“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.